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100426-74-2 | 1,8-Naphthyridine-3-carboxylic acid, 7-chloro-6-fluoro-1,4-dihydro-4-oxo-1-phenyl-, ethyl ester
CAS No: 100426-74-2 Catalog No: AG0001YW MDL No:
Product Description
Catalog Number:
AG0001YW
Chemical Name:
1,8-Naphthyridine-3-carboxylic acid, 7-chloro-6-fluoro-1,4-dihydro-4-oxo-1-phenyl-, ethyl ester
CAS Number:
100426-74-2
Molecular Formula:
C17H12ClFN2O3
Molecular Weight:
346.7402
IUPAC Name:
ethyl 7-chloro-6-fluoro-4-oxo-1-phenyl-1,8-naphthyridine-3-carboxylate
InChI:
InChI=1S/C17H12ClFN2O3/c1-2-24-17(23)12-9-21(10-6-4-3-5-7-10)16-11(14(12)22)8-13(19)15(18)20-16/h3-9H,2H2,1H3
InChI Key:
GHYKYCVOWWJNDQ-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cn(c2ccccc2)c2c(c1=O)cc(c(n2)Cl)F
Properties
Complexity:
536
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
346.052g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
346.742g/mol
Monoisotopic Mass:
346.052g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
59.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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