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1262005-97-9 | [1,1'-Biphenyl]-2-carboxylic acid, 4'-chloro-3-methyl-
CAS No: 1262005-97-9 Catalog No: AG000SC0 MDL No:MFCD18319920
Product Description
Catalog Number:
AG000SC0
Chemical Name:
[1,1'-Biphenyl]-2-carboxylic acid, 4'-chloro-3-methyl-
CAS Number:
1262005-97-9
Molecular Formula:
C14H11ClO2
Molecular Weight:
246.6889
MDL Number:
MFCD18319920
IUPAC Name:
2-(4-chlorophenyl)-6-methylbenzoic acid
InChI:
InChI=1S/C14H11ClO2/c1-9-3-2-4-12(13(9)14(16)17)10-5-7-11(15)8-6-10/h2-8H,1H3,(H,16,17)
InChI Key:
KQKGRVRUDSVUEQ-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)c1cccc(c1C(=O)O)C
Properties
Complexity:
271
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.045g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
246.69g/mol
Monoisotopic Mass:
246.045g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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