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1261928-83-9 | [1,1'-Biphenyl]-4-carboxylic acid, 3'-chloro-2-methyl-
CAS No: 1261928-83-9 Catalog No: AG000S6M MDL No:MFCD18319898
Product Description
Catalog Number:
AG000S6M
Chemical Name:
[1,1'-Biphenyl]-4-carboxylic acid, 3'-chloro-2-methyl-
CAS Number:
1261928-83-9
Molecular Formula:
C14H11ClO2
Molecular Weight:
246.6889
MDL Number:
MFCD18319898
IUPAC Name:
4-(3-chlorophenyl)-3-methylbenzoic acid
InChI:
InChI=1S/C14H11ClO2/c1-9-7-11(14(16)17)5-6-13(9)10-3-2-4-12(15)8-10/h2-8H,1H3,(H,16,17)
InChI Key:
SZOUNCWDXCHSNP-UHFFFAOYSA-N
SMILES:
Clc1cccc(c1)c1ccc(cc1C)C(=O)O
Properties
Complexity:
279
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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