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125290-81-5 | 1,8-Naphthyridine-3-carboxylic acid, 7-chloro-1-cyclopropyl-6-fluoro-1,2,3,4-tetrahydro-4-oxo-, ethyl ester
CAS No: 125290-81-5 Catalog No: AG000NGC MDL No:
Product Description
Catalog Number:
AG000NGC
Chemical Name:
1,8-Naphthyridine-3-carboxylic acid, 7-chloro-1-cyclopropyl-6-fluoro-1,2,3,4-tetrahydro-4-oxo-, ethyl ester
CAS Number:
125290-81-5
Molecular Formula:
C14H14ClFN2O3
Molecular Weight:
312.7240
IUPAC Name:
ethyl 7-chloro-1-cyclopropyl-6-fluoro-4-oxo-2,3-dihydro-1,8-naphthyridine-3-carboxylate
InChI:
InChI=1S/C14H14ClFN2O3/c1-2-21-14(20)9-6-18(7-3-4-7)13-8(11(9)19)5-10(16)12(15)17-13/h5,7,9H,2-4,6H2,1H3
InChI Key:
VTCVEQVLVZSWOS-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1CN(C2CC2)c2c(C1=O)cc(c(n2)Cl)F
Properties
Complexity:
446
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.068g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
312.725g/mol
Monoisotopic Mass:
312.068g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
59.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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