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1261978-68-0 | [1,1'-Biphenyl]-4-carboxylic acid, 2'-chloro-2,4'-dimethyl-
CAS No: 1261978-68-0 Catalog No: AG000SAX MDL No:MFCD18320711
Product Description
Catalog Number:
AG000SAX
Chemical Name:
[1,1'-Biphenyl]-4-carboxylic acid, 2'-chloro-2,4'-dimethyl-
CAS Number:
1261978-68-0
Molecular Formula:
C15H13ClO2
Molecular Weight:
260.7155
MDL Number:
MFCD18320711
IUPAC Name:
4-(2-chloro-4-methylphenyl)-3-methylbenzoic acid
InChI:
InChI=1S/C15H13ClO2/c1-9-3-5-13(14(16)7-9)12-6-4-11(15(17)18)8-10(12)2/h3-8H,1-2H3,(H,17,18)
InChI Key:
JOSUHCXCRQKFKP-UHFFFAOYSA-N
SMILES:
Cc1ccc(c(c1)Cl)c1ccc(cc1C)C(=O)O
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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