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948015-62-1 | 3-(2-Bromophenyl)-2-cyanopropionic acid
CAS No: 948015-62-1 Catalog No: AG01EZKF MDL No:
Product Description
Catalog Number:
AG01EZKF
Chemical Name:
3-(2-Bromophenyl)-2-cyanopropionic acid
CAS Number:
948015-62-1
Molecular Formula:
C10H8BrNO2
Molecular Weight:
254.0800
IUPAC Name:
3-(2-bromophenyl)-2-cyanopropanoic acid
InChI:
InChI=1S/C10H8BrNO2/c11-9-4-2-1-3-7(9)5-8(6-12)10(13)14/h1-4,8H,5H2,(H,13,14)
InChI Key:
CKAZGIHCMGWMMF-UHFFFAOYSA-N
SMILES:
N#CC(C(=O)O)Cc1ccccc1Br
Properties
Complexity:
258
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:
2.4
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