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1261522-11-5 | benzeneacetic acid, 2-chloro-6-cyano-
CAS No: 1261522-11-5 Catalog No: AG000RT8 MDL No:MFCD18392497
Product Description
Catalog Number:
AG000RT8
Chemical Name:
benzeneacetic acid, 2-chloro-6-cyano-
CAS Number:
1261522-11-5
Molecular Formula:
C9H6ClNO2
Molecular Weight:
195.6024
MDL Number:
MFCD18392497
IUPAC Name:
2-(2-chloro-6-cyanophenyl)acetic acid
InChI:
InChI=1S/C9H6ClNO2/c10-8-3-1-2-6(5-11)7(8)4-9(12)13/h1-3H,4H2,(H,12,13)
InChI Key:
SKPHIYPSRLDDPU-UHFFFAOYSA-N
SMILES:
N#Cc1cccc(c1CC(=O)O)Cl
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
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