Home Halogens Benzeneacetic acid, 4-chloro-3-cyano-

Benzeneacetic acid, 4-chloro-3-cyano-

CAS No.:
1261733-93-0
Catalog Number:
AG000RZ2
Molecular Formula:
C9H6ClNO2
Molecular Weight:
195.6024
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Product Description
Catalog Number:
AG000RZ2
Chemical Name:
Benzeneacetic acid, 4-chloro-3-cyano-
CAS Number:
1261733-93-0
Molecular Formula:
C9H6ClNO2
Molecular Weight:
195.6024
MDL Number:
MFCD18392501
IUPAC Name:
2-(4-chloro-3-cyanophenyl)acetic acid
InChI:
InChI=1S/C9H6ClNO2/c10-8-2-1-6(4-9(12)13)3-7(8)5-11/h1-3H,4H2,(H,12,13)
InChI Key:
WARZDAABAXIDBD-UHFFFAOYSA-N
SMILES:
N#Cc1cc(ccc1Cl)CC(=O)O
Properties
Complexity:
245  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.009g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
195.602g/mol
Monoisotopic Mass:
195.009g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
61.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties