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1261998-47-3 | 3-Pyridinecarboxylic acid, 5-(2,6-difluorophenyl)-
CAS No: 1261998-47-3 Catalog No: AG000SB6 MDL No:
Product Description
Catalog Number:
AG000SB6
Chemical Name:
3-Pyridinecarboxylic acid, 5-(2,6-difluorophenyl)-
CAS Number:
1261998-47-3
Molecular Formula:
C12H7F2NO2
Molecular Weight:
235.1863
IUPAC Name:
5-(2,6-difluorophenyl)pyridine-3-carboxylic acid
InChI:
InChI=1S/C12H7F2NO2/c13-9-2-1-3-10(14)11(9)7-4-8(12(16)17)6-15-5-7/h1-6H,(H,16,17)
InChI Key:
QYDSYFXLONKDHI-UHFFFAOYSA-N
SMILES:
Fc1cccc(c1c1cncc(c1)C(=O)O)F
Properties
Complexity:
278
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.044g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
235.19g/mol
Monoisotopic Mass:
235.044g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
50.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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