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100426-75-3 | 1,8-Naphthyridine-3-carboxylic acid, 7-chloro-6-fluoro-1,4-dihydro-4-oxo-1-phenyl-
CAS No: 100426-75-3 Catalog No: AG0001YV MDL No:
Product Description
Catalog Number:
AG0001YV
Chemical Name:
1,8-Naphthyridine-3-carboxylic acid, 7-chloro-6-fluoro-1,4-dihydro-4-oxo-1-phenyl-
CAS Number:
100426-75-3
Molecular Formula:
C15H8ClFN2O3
Molecular Weight:
318.6870
IUPAC Name:
7-chloro-6-fluoro-4-oxo-1-phenyl-1,8-naphthyridine-3-carboxylic acid
InChI:
InChI=1S/C15H8ClFN2O3/c16-13-11(17)6-9-12(20)10(15(21)22)7-19(14(9)18-13)8-4-2-1-3-5-8/h1-7H,(H,21,22)
InChI Key:
SWBTWMDKDSUKTG-UHFFFAOYSA-N
SMILES:
OC(=O)c1cn(c2ccccc2)c2c(c1=O)cc(c(n2)Cl)F
Properties
Complexity:
507
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
318.021g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
318.688g/mol
Monoisotopic Mass:
318.021g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
70.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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