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14753-14-1 | Quinoline, 7-chloro-4-nitro-, 1-oxide
CAS No: 14753-14-1 Catalog No: AG001EYP MDL No:
Product Description
Catalog Number:
AG001EYP
Chemical Name:
Quinoline, 7-chloro-4-nitro-, 1-oxide
CAS Number:
14753-14-1
Molecular Formula:
C9H5ClN2O3
Molecular Weight:
224.6006
IUPAC Name:
7-chloro-4-nitro-1-oxidoquinolin-1-ium
InChI:
InChI=1S/C9H5ClN2O3/c10-6-1-2-7-8(12(14)15)3-4-11(13)9(7)5-6/h1-5H
InChI Key:
NFGJNEYAHLMONP-UHFFFAOYSA-N
SMILES:
Clc1ccc2c(c1)[n+]([O-])ccc2[N+](=O)[O-]
Properties
Complexity:
258
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.999g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
224.6g/mol
Monoisotopic Mass:
223.999g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
71.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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