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100491-37-0 | 1,8-Naphthyridine-3-carboxylic acid, 7-chloro-1-(4-chlorophenyl)-6-fluoro-1,4-dihydro-4-oxo-, ethyl ester
CAS No: 100491-37-0 Catalog No: AG000257 MDL No:
Product Description
Catalog Number:
AG000257
Chemical Name:
1,8-Naphthyridine-3-carboxylic acid, 7-chloro-1-(4-chlorophenyl)-6-fluoro-1,4-dihydro-4-oxo-, ethyl ester
CAS Number:
100491-37-0
Molecular Formula:
C17H11Cl2FN2O3
Molecular Weight:
381.1852
IUPAC Name:
ethyl 7-chloro-1-(4-chlorophenyl)-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylate
InChI:
InChI=1S/C17H11Cl2FN2O3/c1-2-25-17(24)12-8-22(10-5-3-9(18)4-6-10)16-11(14(12)23)7-13(20)15(19)21-16/h3-8H,2H2,1H3
InChI Key:
VDJXNRLOCJTVIP-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cn(c2ccc(cc2)Cl)c2c(c1=O)cc(c(n2)Cl)F
Properties
Complexity:
566
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
380.013g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
381.184g/mol
Monoisotopic Mass:
380.013g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
59.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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