Home Bromides 58123-69-6
58123-69-6,MFCD09261042
Catalog No.:AA003IYT
58123-69-6 | 3-Bromo-4-cyanobenzoic acid
Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
96%
in stock  
$143.00   $100.00
- +
1g
96%
in stock  
$397.00   $278.00
- +
5g
96%
in stock  
$1,191.00   $834.00
- +
10g
96%
in stock  
$1,905.00   $1,334.00
- +
  • Technical Information
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Technical Information
Catalog Number:
AA003IYT
Chemical Name:
3-Bromo-4-cyanobenzoic acid
CAS Number:
58123-69-6
Molecular Formula:
C8H4BrNO2
Molecular Weight:
226.0269
MDL Number:
MFCD09261042
IUPAC Name:
3-bromo-4-cyanobenzoic acid
InChI:
InChI=1S/C8H4BrNO2/c9-7-3-5(8(11)12)1-2-6(7)4-10/h1-3H,(H,11,12)
InChI Key:
WAFUFPLTXVDCNT-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1Br)C(=O)O
Properties
Computed Properties
 
Complexity:
233  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.943g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
226.029g/mol
Monoisotopic Mass:
224.943g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
61.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  

Synonyms
 
3-BROMO-4-CYANOBENZOIC ACID 
58123-69-6 
ZINC82046536 
AKOS016002669 
FCH1391918 
RP05382 
TRA0070775 
3-Bromo-4-cyanobenzoic acid, AldrichCPR 
AS-44764 
BBV-40268025 
SY022572 
AJ-124231 
3-Bromo-4-cyanobenzoicacid 
AX8208738 
DB-023496 
TC-145892 
FT-0702780 
ST24028435 
Y9535 
MFCD09261042 (98%) 
Z-4723 
J-511921 
C8H4BrNO2 
581213-69-6 
SCHEMBL108705 
3-Bromo-4-cyano-benzoic acid 
CTK5A7880 
WAFUFPLTXVDCNT-UHFFFAOYSA-N 
ANW-57147 
MFCD09261042 
Literature
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