Home Bromides 1003707-16-1
1003707-16-1,MFCD09955623
Catalog No.:AA0001OM
1003707-16-1 | 3-(4-Bromophenyl)-3-cyanopropanoic acid
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Quantity
  
1g
98%
in stock  
$381.00   $267.00
- +
5g
98%
in stock  
$1,524.00   $1,067.00
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Technical Information
Catalog Number:
AA0001OM
Chemical Name:
3-(4-Bromophenyl)-3-cyanopropanoic acid
CAS Number:
1003707-16-1
Molecular Formula:
C10H8BrNO2
Molecular Weight:
254.0800
MDL Number:
MFCD09955623
IUPAC Name:
3-(4-bromophenyl)-3-cyanopropanoic acid
InChI:
InChI=1S/C10H8BrNO2/c11-9-3-1-7(2-4-9)8(6-12)5-10(13)14/h1-4,8H,5H2,(H,13,14)
InChI Key:
AYOMFJWRKMHFBL-UHFFFAOYSA-N
SMILES:
N#CC(c1ccc(cc1)Br)CC(=O)O
Properties
Computed Properties
 
Complexity:
250  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.974g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
254.083g/mol
Monoisotopic Mass:
252.974g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
61.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  

Synonyms
 
3-(4-BROMOPHENYL)-3-CYANOPROPANOIC ACID 
1003707-16-1 
Benzenepropanoic acid, 4-bromo-beta-cyano- 
TC-103004 
B-9105 
F2147-2487 
ACMC-2097ph 
SCHEMBL17144644 
CTK3J8859 
DTXSID80573388 
ANW-14259 
MFCD09955623 
AKOS022366351 
beta-Cyano-4-bromobenzenepropionic acid 
Literature
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