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1001413-01-9 | 3-Pyridinecarboxylic acid, 1-[(3,4-difluorophenyl)methyl]-1,2-dihydro-2-oxo-
CAS No: 1001413-01-9 Catalog No: AG00012F MDL No:MFCD11111121
Product Description
Catalog Number:
AG00012F
Chemical Name:
3-Pyridinecarboxylic acid, 1-[(3,4-difluorophenyl)methyl]-1,2-dihydro-2-oxo-
CAS Number:
1001413-01-9
Molecular Formula:
C13H9F2NO3
Molecular Weight:
265.2123
MDL Number:
MFCD11111121
IUPAC Name:
1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carboxylic acid
InChI:
InChI=1S/C13H9F2NO3/c14-10-4-3-8(6-11(10)15)7-16-5-1-2-9(12(16)17)13(18)19/h1-6H,7H2,(H,18,19)
InChI Key:
CQQJYSYNXKUWPX-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccn(c1=O)Cc1ccc(c(c1)F)F
Properties
Complexity:
447
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.055g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
265.216g/mol
Monoisotopic Mass:
265.055g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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