99586-31-9,MFCD01565105
Catalog No.:AA006N2X

99586-31-9 | 2-(3-Bromophenyl)-1,3-benzoxazole

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
95%
in stock  
$15.00   $11.00
- +
1g
95%
in stock  
$39.00   $27.00
- +
5g
95%
in stock  
$124.00   $87.00
- +
25g
95%
in stock  
$550.00 $385.00
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA006N2X
Chemical Name:
2-(3-Bromophenyl)-1,3-benzoxazole
CAS Number:
99586-31-9
Molecular Formula:
C13H8BrNO
Molecular Weight:
274.1127
MDL Number:
MFCD01565105
SMILES:
Brc1cccc(c1)c1nc2c(o1)cccc2
Properties
Properties
 
Form:
Solid  
Storage:
Keep in dry area;Room Temperature;  

Computed Properties
 
Complexity:
248  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
1  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
4.1  

Downstream Synthesis Route

[1]JournalofMedicinalChemistry,2008,vol.51,p.260-270

[2]OrganicandBiomolecularChemistry,2011,vol.9,p.5288-5296

[1]Tetrahedron,2008,vol.64,p.6782-6787

[2]Tetrahedron,2009,vol.65,p.914-919

[1]Tetrahedron,2008,vol.64,p.6782-6787

[1]Tetrahedron,2008,vol.64,p.6782-6787

[1]JournalofOrganometallicChemistry,2018,vol.871,p.60-73

[2]AppliedCatalysisA:General,2014,vol.475,p.140-146

[3]ChemCatChem,2014,vol.6,p.3434-3439

[4]Chemistry-AnAsianJournal,2021,vol.16,p.3689-3694

[5]CatalysisLetters,2022

[6]LettersinOrganicChemistry,2016,vol.13,p.474-481

[7]RSCAdvances,2018,vol.8,p.11834-11842

[8]AppliedOrganometallicChemistry,2021,vol.35

[9]TetrahedronLetters,2013,vol.54,p.6986-6990

[10]ChineseJournalofChemistry,2011,vol.29,p.773-777

[11]BioorganicChemistry,2020,vol.94

[12]Tetrahedron,2008,vol.64,p.6782-6787

[13]JournalofOrganicChemistry,2018,vol.83,p.14820-14826

Literature
Quotation Request
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Additional Info:
SDS
Tags:99586-31-9 Molecular Formula|99586-31-9 MDL|99586-31-9 SMILES|99586-31-9 2-(3-Bromophenyl)-1,3-benzoxazole
Catalog No.: AA006N2X
99586-31-9,MFCD01565105
99586-31-9 | 2-(3-Bromophenyl)-1,3-benzoxazole
Pack Size: 250mg
Purity: 95%
in stock
$15.00 $11.00
Pack Size: 1g
Purity: 95%
in stock
$39.00 $27.00
Pack Size: 5g
Purity: 95%
in stock
$124.00 $87.00
Pack Size: 25g
Purity: 95%
in stock
$550.00 $385.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA006N2X
Chemical Name: 2-(3-Bromophenyl)-1,3-benzoxazole
CAS Number: 99586-31-9
Molecular Formula: C13H8BrNO
Molecular Weight: 274.1127
MDL Number: MFCD01565105
SMILES: Brc1cccc(c1)c1nc2c(o1)cccc2
Properties
Form: Solid  
Storage: Keep in dry area;Room Temperature;  
Complexity: 248  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 16  
Hydrogen Bond Acceptor Count: 2  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 1  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 4.1  
Downstream Synthesis Route
585-76-2    95-55-6    99586-31-9 

[1]JournalofMedicinalChemistry,2008,vol.51,p.260-270

[2]OrganicandBiomolecularChemistry,2011,vol.9,p.5288-5296

591-50-4    99586-31-9    1042719-80-1 

[1]Tetrahedron,2008,vol.64,p.6782-6787

[2]Tetrahedron,2009,vol.65,p.914-919

99586-31-9    591-18-4    1042719-82-3 

[1]Tetrahedron,2008,vol.64,p.6782-6787

99586-31-9    624-31-7    1042719-81-2 

[1]Tetrahedron,2008,vol.64,p.6782-6787

3132-99-8    95-55-6    99586-31-9 

[1]JournalofOrganometallicChemistry,2018,vol.871,p.60-73

[2]AppliedCatalysisA:General,2014,vol.475,p.140-146

[3]ChemCatChem,2014,vol.6,p.3434-3439

[4]Chemistry-AnAsianJournal,2021,vol.16,p.3689-3694

[5]CatalysisLetters,2022

[6]LettersinOrganicChemistry,2016,vol.13,p.474-481

[7]RSCAdvances,2018,vol.8,p.11834-11842

[8]AppliedOrganometallicChemistry,2021,vol.35

[9]TetrahedronLetters,2013,vol.54,p.6986-6990

[10]ChineseJournalofChemistry,2011,vol.29,p.773-777

[11]BioorganicChemistry,2020,vol.94

[12]Tetrahedron,2008,vol.64,p.6782-6787

[13]JournalofOrganicChemistry,2018,vol.83,p.14820-14826

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