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1242336-68-0 | [1,1'-Biphenyl]-3-carboxylic acid, 5-chloro-3'-methyl-
CAS No: 1242336-68-0 Catalog No: AG000LQA MDL No:MFCD16660288
Product Description
Catalog Number:
AG000LQA
Chemical Name:
[1,1'-Biphenyl]-3-carboxylic acid, 5-chloro-3'-methyl-
CAS Number:
1242336-68-0
Molecular Formula:
C14H11ClO2
Molecular Weight:
246.6889
MDL Number:
MFCD16660288
IUPAC Name:
3-chloro-5-(3-methylphenyl)benzoic acid
InChI:
InChI=1S/C14H11ClO2/c1-9-3-2-4-10(5-9)11-6-12(14(16)17)8-13(15)7-11/h2-8H,1H3,(H,16,17)
InChI Key:
YRZCCQASYVBQBB-UHFFFAOYSA-N
SMILES:
Clc1cc(cc(c1)C(=O)O)c1cccc(c1)C
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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