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127625-17-6 | 3-Quinolinecarboxylic acid, 7-chloro-1-cyclopropyl-1,4-dihydro-6-nitro-4-oxo-, ethyl ester
CAS No: 127625-17-6 Catalog No: AG000X8A MDL No:MFCD01088707
Product Description
Catalog Number:
AG000X8A
Chemical Name:
3-Quinolinecarboxylic acid, 7-chloro-1-cyclopropyl-1,4-dihydro-6-nitro-4-oxo-, ethyl ester
CAS Number:
127625-17-6
Molecular Formula:
C15H13ClN2O5
Molecular Weight:
336.7271
MDL Number:
MFCD01088707
IUPAC Name:
ethyl 7-chloro-1-cyclopropyl-6-nitro-4-oxoquinoline-3-carboxylate
InChI:
InChI=1S/C15H13ClN2O5/c1-2-23-15(20)10-7-17(8-3-4-8)12-6-11(16)13(18(21)22)5-9(12)14(10)19/h5-8H,2-4H2,1H3
InChI Key:
OKTIGDGVVZJJRI-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cn(C2CC2)c2c(c1=O)cc(c(c2)Cl)[N+](=O)[O-]
Properties
Complexity:
569
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
336.051g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
336.728g/mol
Monoisotopic Mass:
336.051g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
92.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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