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1225547-21-6 | 2-Pyridinecarboxylic acid, 5-(3-chlorophenyl)-
CAS No: 1225547-21-6 Catalog No: AG0017FT MDL No:
Product Description
Catalog Number:
AG0017FT
Chemical Name:
2-Pyridinecarboxylic acid, 5-(3-chlorophenyl)-
CAS Number:
1225547-21-6
Molecular Formula:
C12H8ClNO2
Molecular Weight:
233.6504
IUPAC Name:
5-(3-chlorophenyl)pyridine-2-carboxylic acid
InChI:
InChI=1S/C12H8ClNO2/c13-10-3-1-2-8(6-10)9-4-5-11(12(15)16)14-7-9/h1-7H,(H,15,16)
InChI Key:
MJNAVDGXYYXWIU-UHFFFAOYSA-N
SMILES:
Clc1cccc(c1)c1ccc(nc1)C(=O)O
Properties
Complexity:
259
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.024g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
233.651g/mol
Monoisotopic Mass:
233.024g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
50.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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