Home Halogens Benzoic acid, 2-chloro-3-cyano-

Benzoic acid, 2-chloro-3-cyano-

CAS No.:
1261499-34-6
Catalog Number:
AG000RTL
Molecular Formula:
C8H4ClNO2
Molecular Weight:
181.5759
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Product Description
Catalog Number:
AG000RTL
Chemical Name:
Benzoic acid, 2-chloro-3-cyano-
CAS Number:
1261499-34-6
Molecular Formula:
C8H4ClNO2
Molecular Weight:
181.5759
MDL Number:
MFCD18392430
IUPAC Name:
2-chloro-3-cyanobenzoic acid
InChI:
InChI=1S/C8H4ClNO2/c9-7-5(4-10)2-1-3-6(7)8(11)12/h1-3H,(H,11,12)
InChI Key:
AHYJLSYGLUYKBZ-UHFFFAOYSA-N
SMILES:
N#Cc1cccc(c1Cl)C(=O)O
Properties
Complexity:
233  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.993g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
181.575g/mol
Monoisotopic Mass:
180.993g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
61.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties