858629-06-8,MFCD06739145
Catalog No.:AA004XAZ

858629-06-8 | 5-Fluoro-3-iodo-1h-indazole

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
97%
in stock  
$17.00   $12.00
- +
1g
97%
in stock  
$21.00   $15.00
- +
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA004XAZ
Chemical Name:
5-Fluoro-3-iodo-1h-indazole
CAS Number:
858629-06-8
Molecular Formula:
C7H4FIN2
Molecular Weight:
262.0229
MDL Number:
MFCD06739145
SMILES:
Fc1ccc2c(c1)c(I)n[nH]2
Properties
Properties
 
BP:
361.4 °C at 760 mmHg  
Form:
Solid  
MP:
166 °C  
Storage:
2-8℃;  

Computed Properties
 
Complexity:
155  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
0  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
2.3  

Upstream Synthesis Route

[1]Patent:WO2018/132372,2018,A1,.Locationinpatent:Paragraph01229

[2]Patent:WO2018/188590,2018,A1,.Locationinpatent:Paragraph00437

[3]Synthesis,2011,#19,p.3089-3098

[4]JournalofMedicinalChemistry,2014,vol.57,#12,p.5419-5434

[5]Molecules,2018,vol.23,#8,

[6]BioorganicandMedicinalChemistryLetters,2010,vol.20,#23,p.6998-7003

Downstream Synthesis Route

[1]JournalofMedicinalChemistry,2014,vol.57,p.5419-5434

[2]BioorganicandMedicinalChemistryLetters,2010,vol.20,p.6998-7003

[3]BeilsteinJournalofOrganicChemistry,2013,vol.9,p.1501-1507

[1]Patent:WO2018/132372,2018,A1.Locationinpatent:Paragraph01229

[2]Patent:WO2018/188590,2018,A1.Locationinpatent:Paragraph00437

[3]Synthesis,2011,p.3089-3098

[4]JournalofMedicinalChemistry,2014,vol.57,p.5419-5434

[5]Molecules,2018,vol.23

[6]BioorganicandMedicinalChemistryLetters,2010,vol.20,p.6998-7003

[1]Synthesis,2011,p.3089-3098

[1]Synthesis,2011,p.3089-3098

Literature
Quotation Request
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Additional Info:
SDS
Historical Records
Tags:858629-06-8 Molecular Formula|858629-06-8 MDL|858629-06-8 SMILES|858629-06-8 5-Fluoro-3-iodo-1h-indazole
Catalog No.: AA004XAZ
858629-06-8,MFCD06739145
858629-06-8 | 5-Fluoro-3-iodo-1h-indazole
Pack Size: 250mg
Purity: 97%
in stock
$17.00 $12.00
Pack Size: 1g
Purity: 97%
in stock
$21.00 $15.00
Quantity
- +
Add to Card
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Technical Information
Catalog Number: AA004XAZ
Chemical Name: 5-Fluoro-3-iodo-1h-indazole
CAS Number: 858629-06-8
Molecular Formula: C7H4FIN2
Molecular Weight: 262.0229
MDL Number: MFCD06739145
SMILES: Fc1ccc2c(c1)c(I)n[nH]2
Properties
BP: 361.4 °C at 760 mmHg  
Form: Solid  
MP: 166 °C  
Storage: 2-8℃;  
Complexity: 155  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 11  
Hydrogen Bond Acceptor Count: 2  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 0  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 2.3  
Upstream Synthesis Route
348-26-5    858629-06-8 

[1]Patent:WO2018/132372,2018,A1,.Locationinpatent:Paragraph01229

[2]Patent:WO2018/188590,2018,A1,.Locationinpatent:Paragraph00437

[3]Synthesis,2011,#19,p.3089-3098

[4]JournalofMedicinalChemistry,2014,vol.57,#12,p.5419-5434

[5]Molecules,2018,vol.23,#8,

[6]BioorganicandMedicinalChemistryLetters,2010,vol.20,#23,p.6998-7003

Downstream Synthesis Route
24424-99-5    858629-06-8    944904-49-8 

[1]JournalofMedicinalChemistry,2014,vol.57,p.5419-5434

[2]BioorganicandMedicinalChemistryLetters,2010,vol.20,p.6998-7003

[3]BeilsteinJournalofOrganicChemistry,2013,vol.9,p.1501-1507

348-26-5    858629-06-8 

[1]Patent:WO2018/132372,2018,A1.Locationinpatent:Paragraph01229

[2]Patent:WO2018/188590,2018,A1.Locationinpatent:Paragraph00437

[3]Synthesis,2011,p.3089-3098

[4]JournalofMedicinalChemistry,2014,vol.57,p.5419-5434

[5]Molecules,2018,vol.23

[6]BioorganicandMedicinalChemistryLetters,2010,vol.20,p.6998-7003

67-56-1    201230-82-2    858629-06-8    78155-73-4 

[1]Synthesis,2011,p.3089-3098

110-68-9    201230-82-2    858629-06-8    1352415-07-6 

[1]Synthesis,2011,p.3089-3098

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