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1365272-40-7 | [1,1'-Biphenyl]-4-carboxylic acid, 2'-chloro-2,5'-dimethyl-
CAS No: 1365272-40-7 Catalog No: AG00120B MDL No:MFCD21609551
Product Description
Catalog Number:
AG00120B
Chemical Name:
[1,1'-Biphenyl]-4-carboxylic acid, 2'-chloro-2,5'-dimethyl-
CAS Number:
1365272-40-7
Molecular Formula:
C15H13ClO2
Molecular Weight:
260.7155
MDL Number:
MFCD21609551
IUPAC Name:
4-(2-chloro-5-methylphenyl)-3-methylbenzoic acid
InChI:
InChI=1S/C15H13ClO2/c1-9-3-6-14(16)13(7-9)12-5-4-11(15(17)18)8-10(12)2/h3-8H,1-2H3,(H,17,18)
InChI Key:
POWDTCHDMMYCBO-UHFFFAOYSA-N
SMILES:
Cc1ccc(c(c1)c1ccc(cc1C)C(=O)O)Cl
Properties
Complexity:
305
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.06g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
260.717g/mol
Monoisotopic Mass:
260.06g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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