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1027511-91-6 | Benzoic acid, 4-(6-chloro-2-pyridinyl)-3-methyl-
CAS No: 1027511-91-6 Catalog No: AG0008AB MDL No:
Product Description
Catalog Number:
AG0008AB
Chemical Name:
Benzoic acid, 4-(6-chloro-2-pyridinyl)-3-methyl-
CAS Number:
1027511-91-6
Molecular Formula:
C13H10ClNO2
Molecular Weight:
247.6770
IUPAC Name:
4-(6-chloropyridin-2-yl)-3-methylbenzoic acid
InChI:
InChI=1S/C13H10ClNO2/c1-8-7-9(13(16)17)5-6-10(8)11-3-2-4-12(14)15-11/h2-7H,1H3,(H,16,17)
InChI Key:
BOFJHJBPFKPTFD-UHFFFAOYSA-N
SMILES:
Clc1cccc(n1)c1ccc(cc1C)C(=O)O
Properties
Complexity:
285
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.04g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
247.678g/mol
Monoisotopic Mass:
247.04g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
50.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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