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1258612-04-2 | 2-Pyridinecarboxylic acid, 4-(4-chlorophenyl)-
CAS No: 1258612-04-2 Catalog No: AG000OVA MDL No:MFCD18085942
Product Description
Catalog Number:
AG000OVA
Chemical Name:
2-Pyridinecarboxylic acid, 4-(4-chlorophenyl)-
CAS Number:
1258612-04-2
Molecular Formula:
C12H8ClNO2
Molecular Weight:
233.6504
MDL Number:
MFCD18085942
IUPAC Name:
4-(4-chlorophenyl)pyridine-2-carboxylic acid
InChI:
InChI=1S/C12H8ClNO2/c13-10-3-1-8(2-4-10)9-5-6-14-11(7-9)12(15)16/h1-7H,(H,15,16)
InChI Key:
STMWJUORSCVRKH-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)c1ccnc(c1)C(=O)O
Properties
Complexity:
251
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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