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127094-58-0 | 1,5-Naphthyridine-3-carboxylic acid, 6-chloro-4-hydroxy-, ethyl ester
CAS No: 127094-58-0 Catalog No: AG000WN6 MDL No:
Product Description
Catalog Number:
AG000WN6
Chemical Name:
1,5-Naphthyridine-3-carboxylic acid, 6-chloro-4-hydroxy-, ethyl ester
CAS Number:
127094-58-0
Molecular Formula:
C11H9ClN2O3
Molecular Weight:
252.6538
IUPAC Name:
ethyl 6-chloro-4-oxo-1H-1,5-naphthyridine-3-carboxylate
InChI:
InChI=1S/C11H9ClN2O3/c1-2-17-11(16)6-5-13-7-3-4-8(12)14-9(7)10(6)15/h3-5H,2H2,1H3,(H,13,15)
InChI Key:
XNSPDXHNZQVZRQ-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cnc2c(c1O)nc(cc2)Cl
Properties
Complexity:
370
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.03g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
252.654g/mol
Monoisotopic Mass:
252.03g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
68.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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