946125-65-1,MFCD11110170
Catalog No.:AA00IIBG

946125-65-1 | 2-Fluoro-3-nitrobenzyl bromide

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
97%
in stock  
$107.00   $75.00
- +
5g
97%
in stock  
$297.00   $208.00
- +
25g
97%
in stock  
$1,154.00   $808.00
- +
100g
97%
in stock  
$3,951.00 $2,766.00
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA00IIBG
Chemical Name:
2-Fluoro-3-nitrobenzyl bromide
CAS Number:
946125-65-1
Molecular Formula:
C7H5BrFNO2
Molecular Weight:
234.0225
MDL Number:
MFCD11110170
SMILES:
BrCc1cccc(c1F)[N+](=O)[O-]
Properties
Computed Properties
 
Complexity:
173  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
1  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
2.4  

Upstream Synthesis Route

[1]Patent:WO2015/150557,2015,A1,.Locationinpatent:Page/Pagecolumn102

[2]Patent:WO2014/152198,2014,A1,.Locationinpatent:Paragraph0107;0108;0109;0110;0111

[3]Patent:EP1982982,2008,A1,.Locationinpatent:Page/Pagecolumn196-197

[4]Patent:EP2172198,2010,A1,

[5]Patent:KR101511396,2015,B1,.Locationinpatent:Paragraph2873-2877

[6]Patent:CN107200716,2017,A,.Locationinpatent:Paragraph0095;0099;0129;0130;0131

[7]Patent:US8080568,2011,B1,.Locationinpatent:Page/Pagecolumn21

[8]BioorganicandMedicinalChemistry,2014,vol.22,#9,p.2724-2732

[9]JournalofMedicinalChemistry,2014,vol.57,#10,p.4213-4238

[10]ACSMedicinalChemistryLetters,2013,vol.4,#11,p.1059-1063

[1]Patent:WO2014/152198,2014,A1,.Locationinpatent:Paragraph0107;0108;0111

[2]Patent:WO2014/152236,2014,A1,.Locationinpatent:Paragraph0084-0088

[1]Patent:EP1982982,2008,A1,.Locationinpatent:Page/Pagecolumn199

[2]Patent:EP2172198,2010,A1,

[3]Patent:KR101511396,2015,B1,.Locationinpatent:Paragraph2909-2913

[1]ACSMedicinalChemistryLetters,2013,vol.4,#11,p.1059-1063

[2]Patent:KR101511396,2015,B1,

[1]Patent:KR101511396,2015,B1,

Downstream Synthesis Route

[1]Patent:EP1982982,2008,A1.Locationinpatent:Page/Pagecolumn53-54

[2]Patent:EP2172198,2010,A1

[3]Patent:KR101511396,2015,B1.Locationinpatent:Paragraph0719-0723

[4]ACSMedicinalChemistryLetters,2013,vol.4,p.1059-1063

[5]ACSMedicinalChemistryLetters,2014,vol.5,p.309-314

[6]BioorganicandMedicinalChemistryLetters,2013,vol.23,p.6223-6227

[1]Patent:WO2015/150557,2015,A1.Locationinpatent:Page/Pagecolumn102

[2]Patent:WO2014/152198,2014,A1.Locationinpatent:Paragraph0107;0108;0109;0110;0111

[3]Patent:EP1982982,2008,A1.Locationinpatent:Page/Pagecolumn196-197

[4]Patent:EP2172198,2010,A1

[5]Patent:KR101511396,2015,B1.Locationinpatent:Paragraph2873-2877

[6]Patent:CN107200716,2017,A.Locationinpatent:Paragraph0095;0099;0129;0130;0131

[7]Patent:US8080568,2011,B1.Locationinpatent:Page/Pagecolumn21

[8]BioorganicandMedicinalChemistry,2014,vol.22,p.2724-2732

[9]JournalofMedicinalChemistry,2014,vol.57,p.4213-4238

[10]ACSMedicinalChemistryLetters,2013,vol.4,p.1059-1063

[11]OrganicProcessResearchandDevelopment,2019,vol.23,p.1558-1567

[1]Patent:EP1982982,2008,A1.Locationinpatent:Page/Pagecolumn199

[2]Patent:EP2172198,2010,A1

[3]Patent:KR101511396,2015,B1.Locationinpatent:Paragraph2909-2913

[1]Patent:EP2172198,2010,A1

[2]Patent:KR101511396,2015,B1.Locationinpatent:Paragraph3527-3531

[1]Patent:US8080568,2011,B1.Locationinpatent:Page/Pagecolumn22

[2]BioorganicandMedicinalChemistry,2014,vol.22,p.2724-2732

[3]JournalofMedicinalChemistry,2014,vol.57,p.4213-4238

Literature
Quotation Request
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Additional Info:
SDS
Related Products of 946125-65-1
Tags:946125-65-1 Molecular Formula|946125-65-1 MDL|946125-65-1 SMILES|946125-65-1 2-Fluoro-3-nitrobenzyl bromide
Catalog No.: AA00IIBG
946125-65-1,MFCD11110170
946125-65-1 | 2-Fluoro-3-nitrobenzyl bromide
Pack Size: 1g
Purity: 97%
in stock
$107.00 $75.00
Pack Size: 5g
Purity: 97%
in stock
$297.00 $208.00
Pack Size: 25g
Purity: 97%
in stock
$1,154.00 $808.00
Pack Size: 100g
Purity: 97%
in stock
$3,951.00 $2,766.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA00IIBG
Chemical Name: 2-Fluoro-3-nitrobenzyl bromide
CAS Number: 946125-65-1
Molecular Formula: C7H5BrFNO2
Molecular Weight: 234.0225
MDL Number: MFCD11110170
SMILES: BrCc1cccc(c1F)[N+](=O)[O-]
Properties
Complexity: 173  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 12  
Hydrogen Bond Acceptor Count: 3  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 1  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 2.4  
Upstream Synthesis Route
437-86-5    946125-65-1 

[1]Patent:WO2015/150557,2015,A1,.Locationinpatent:Page/Pagecolumn102

[2]Patent:WO2014/152198,2014,A1,.Locationinpatent:Paragraph0107;0108;0109;0110;0111

[3]Patent:EP1982982,2008,A1,.Locationinpatent:Page/Pagecolumn196-197

[4]Patent:EP2172198,2010,A1,

[5]Patent:KR101511396,2015,B1,.Locationinpatent:Paragraph2873-2877

[6]Patent:CN107200716,2017,A,.Locationinpatent:Paragraph0095;0099;0129;0130;0131

[7]Patent:US8080568,2011,B1,.Locationinpatent:Page/Pagecolumn21

[8]BioorganicandMedicinalChemistry,2014,vol.22,#9,p.2724-2732

[9]JournalofMedicinalChemistry,2014,vol.57,#10,p.4213-4238

[10]ACSMedicinalChemistryLetters,2013,vol.4,#11,p.1059-1063

437-86-5    946125-65-1 

[1]Patent:WO2014/152198,2014,A1,.Locationinpatent:Paragraph0107;0108;0111

[2]Patent:WO2014/152236,2014,A1,.Locationinpatent:Paragraph0084-0088

946126-95-0    946125-65-1 

[1]Patent:EP1982982,2008,A1,.Locationinpatent:Page/Pagecolumn199

[2]Patent:EP2172198,2010,A1,

[3]Patent:KR101511396,2015,B1,.Locationinpatent:Paragraph2909-2913

3970-40-9    946125-65-1 

[1]ACSMedicinalChemistryLetters,2013,vol.4,#11,p.1059-1063

[2]Patent:KR101511396,2015,B1,

53553-14-3    946125-65-1 

[1]Patent:KR101511396,2015,B1,

Downstream Synthesis Route
946125-65-1    141-97-9    946130-07-0 

[1]Patent:EP1982982,2008,A1.Locationinpatent:Page/Pagecolumn53-54

[2]Patent:EP2172198,2010,A1

[3]Patent:KR101511396,2015,B1.Locationinpatent:Paragraph0719-0723

[4]ACSMedicinalChemistryLetters,2013,vol.4,p.1059-1063

[5]ACSMedicinalChemistryLetters,2014,vol.5,p.309-314

[6]BioorganicandMedicinalChemistryLetters,2013,vol.23,p.6223-6227

437-86-5    946125-65-1 

[1]Patent:WO2015/150557,2015,A1.Locationinpatent:Page/Pagecolumn102

[2]Patent:WO2014/152198,2014,A1.Locationinpatent:Paragraph0107;0108;0109;0110;0111

[3]Patent:EP1982982,2008,A1.Locationinpatent:Page/Pagecolumn196-197

[4]Patent:EP2172198,2010,A1

[5]Patent:KR101511396,2015,B1.Locationinpatent:Paragraph2873-2877

[6]Patent:CN107200716,2017,A.Locationinpatent:Paragraph0095;0099;0129;0130;0131

[7]Patent:US8080568,2011,B1.Locationinpatent:Page/Pagecolumn21

[8]BioorganicandMedicinalChemistry,2014,vol.22,p.2724-2732

[9]JournalofMedicinalChemistry,2014,vol.57,p.4213-4238

[10]ACSMedicinalChemistryLetters,2013,vol.4,p.1059-1063

[11]OrganicProcessResearchandDevelopment,2019,vol.23,p.1558-1567

946126-95-0    946125-65-1 

[1]Patent:EP1982982,2008,A1.Locationinpatent:Page/Pagecolumn199

[2]Patent:EP2172198,2010,A1

[3]Patent:KR101511396,2015,B1.Locationinpatent:Paragraph2909-2913

946125-65-1    946127-77-1    946127-78-2 

[1]Patent:EP2172198,2010,A1

[2]Patent:KR101511396,2015,B1.Locationinpatent:Paragraph3527-3531

123-75-1    946125-65-1    1352609-97-2 

[1]Patent:US8080568,2011,B1.Locationinpatent:Page/Pagecolumn22

[2]BioorganicandMedicinalChemistry,2014,vol.22,p.2724-2732

[3]JournalofMedicinalChemistry,2014,vol.57,p.4213-4238

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