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Quinoline, 6-fluoro-5-nitro-, 1-oxide

HCID 154245
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Basic information

CAS
236093-02-0
Standard SMILES
O=[N+]([O-])c1c(F)ccc2c1ccc[n+]2[O-]
InChIKey
WPTFJMGSBDEVBO-UHFFFAOYSA-N
Molecular formula
C9H5FN2O3
Average molar mass
208.15 g/mol
Monoisotopic mass
208.02842019

Names & identifiers

Preferred name
Quinoline, 6-fluoro-5-nitro-, 1-oxide
IUPAC
6-fluoro-5-nitro-1-oxidoquinolin-1-ium

Names & synonyms

236093-02-0Quinoline, 6-fluoro-5-nitro-, 1-oxide66-Fluoro-5-nitroquinoline 1-oxide6-FLUORO-5-NITROQUINOLIN-1-IUM-1-OLATEDTXSID301782666-Fluoro-5-nitro-1-oxo-1lambda~5~-quinolineF96814

Database identifiers

CAS
236093-02-0
PubChem CID
154245
DTXSID
DTXSID30178266
Nikkaji
J1.108.624A

Properties

Computed structural properties

XLogP
0.6
Topological polar surface area
71.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
0
Heavy atoms
15
Formal charge
0
Complexity
258

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