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177734-74-6 | [1,1'-Biphenyl]-3-carboxylic acid, 2',3'-dichloro-
CAS No: 177734-74-6 Catalog No: AG0025IG MDL No:
Product Description
Catalog Number:
AG0025IG
Chemical Name:
[1,1'-Biphenyl]-3-carboxylic acid, 2',3'-dichloro-
CAS Number:
177734-74-6
Molecular Formula:
C13H8Cl2O2
Molecular Weight:
267.1074
IUPAC Name:
3-(2,3-dichlorophenyl)benzoic acid
InChI:
InChI=1S/C13H8Cl2O2/c14-11-6-2-5-10(12(11)15)8-3-1-4-9(7-8)13(16)17/h1-7H,(H,16,17)
InChI Key:
QVAUBYFUJRZWHG-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc(c1)c1cccc(c1Cl)Cl
Properties
Complexity:
283
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.99g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
267.105g/mol
Monoisotopic Mass:
265.99g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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