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1214381-04-0 | 2-Pyridinecarboxylic acid, 6-chloro-3-(4-fluorophenyl)-
CAS No: 1214381-04-0 Catalog No: AG0014YY MDL No:
Product Description
Catalog Number:
AG0014YY
Chemical Name:
2-Pyridinecarboxylic acid, 6-chloro-3-(4-fluorophenyl)-
CAS Number:
1214381-04-0
Molecular Formula:
C12H7ClFNO2
Molecular Weight:
251.6409
IUPAC Name:
6-chloro-3-(4-fluorophenyl)pyridine-2-carboxylic acid
InChI:
InChI=1S/C12H7ClFNO2/c13-10-6-5-9(11(15-10)12(16)17)7-1-3-8(14)4-2-7/h1-6H,(H,16,17)
InChI Key:
WOZZOVSVIAPCES-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1)c1ccc(nc1C(=O)O)Cl
Properties
Complexity:
282
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.015g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
251.641g/mol
Monoisotopic Mass:
251.015g/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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