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1215206-77-1 | [1,1'-Biphenyl]-3-carboxylic acid, 2'-chloro-4'-methyl-
CAS No: 1215206-77-1 Catalog No: AG001588 MDL No:MFCD15143500
Product Description
Catalog Number:
AG001588
Chemical Name:
[1,1'-Biphenyl]-3-carboxylic acid, 2'-chloro-4'-methyl-
CAS Number:
1215206-77-1
Molecular Formula:
C14H11ClO2
Molecular Weight:
246.6889
MDL Number:
MFCD15143500
IUPAC Name:
3-(2-chloro-4-methylphenyl)benzoic acid
InChI:
InChI=1S/C14H11ClO2/c1-9-5-6-12(13(15)7-9)10-3-2-4-11(8-10)14(16)17/h2-8H,1H3,(H,16,17)
InChI Key:
LQEIITZDAWEDHD-UHFFFAOYSA-N
SMILES:
Cc1ccc(c(c1)Cl)c1cccc(c1)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:
4.3
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