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1001412-63-0 | 3-Pyridinecarboxylic acid, 1-[(3,4-difluorophenyl)methyl]-1,2-dihydro-2-oxo-, ethyl ester
CAS No: 1001412-63-0 Catalog No: AG00012G MDL No:MFCD23135848
Product Description
Catalog Number:
AG00012G
Chemical Name:
3-Pyridinecarboxylic acid, 1-[(3,4-difluorophenyl)methyl]-1,2-dihydro-2-oxo-, ethyl ester
CAS Number:
1001412-63-0
Molecular Formula:
C15H13F2NO3
Molecular Weight:
293.2654
MDL Number:
MFCD23135848
IUPAC Name:
ethyl 1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carboxylate
InChI:
InChI=1S/C15H13F2NO3/c1-2-21-15(20)11-4-3-7-18(14(11)19)9-10-5-6-12(16)13(17)8-10/h3-8H,2,9H2,1H3
InChI Key:
TVOXKYPIKZCEFU-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cccn(c1=O)Cc1ccc(c(c1)F)F
Properties
Complexity:
476
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
293.086g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
293.27g/mol
Monoisotopic Mass:
293.086g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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