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100492-04-4 | 1,8-Naphthyridine-3-carboxylic acid, 7-chloro-1-(2,4-difluorophenyl)-6-fluoro-1,4-dihydro-4-oxo-
CAS No: 100492-04-4 Catalog No: AG000256 MDL No:MFCD08458410
Product Description
Catalog Number:
AG000256
Chemical Name:
1,8-Naphthyridine-3-carboxylic acid, 7-chloro-1-(2,4-difluorophenyl)-6-fluoro-1,4-dihydro-4-oxo-
CAS Number:
100492-04-4
Molecular Formula:
C15H6ClF3N2O3
Molecular Weight:
354.6679
MDL Number:
MFCD08458410
IUPAC Name:
7-chloro-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
InChI:
InChI=1S/C15H6ClF3N2O3/c16-13-10(19)4-7-12(22)8(15(23)24)5-21(14(7)20-13)11-2-1-6(17)3-9(11)18/h1-5H,(H,23,24)
InChI Key:
WTCJJEJMYYASNT-UHFFFAOYSA-N
SMILES:
Fc1ccc(c(c1)F)n1cc(C(=O)O)c(=O)c2c1nc(Cl)c(c2)F
EC Number:
917-532-2
Properties
Complexity:
576
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
354.002g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
354.669g/mol
Monoisotopic Mass:
354.002g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
70.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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