1H-2,3-Benzoxazine, 3,4-dihydro-7-nitro-

HCID 30876

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Basic information

CAS: 21964-98-7
Standard SMILES: O=[N+]([O-])c1ccc2c(c1)CONC2
InChIKey: ZOZABKCYUYXXRS-UHFFFAOYSA-N
Molecular formula: C8H8N2O3
Average molar mass: 180.16 g/mol
Monoisotopic mass: 180.05349212

Names & identifiers

Preferred name: 1H-2,3-Benzoxazine, 3,4-dihydro-7-nitro-
IUPAC: 7-nitro-3,4-dihydro-1H-2,3-benzoxazine
English name: 3,4-Dihydro-7-nitro-1H-2,3-benzoxazine
Molecular formula: C8H8N2O3
Molecular weight: 180.16

Names & synonyms

21964-98-77-Nitro-1H-3,4-dihydrobenzoxazineBRN 12152231H-2,3-BENZOXAZINE, 3,4-DIHYDRO-7-NITRO-DTXSID40176374RefChem:237283DTXCID80988657-nitro-3,4-dihydro-1H-2,3-benzoxazine3,4-Dihydro-7-nitro-1H-2,3-benzoxazine

Database identifiers

CAS: 21964-98-7
PubChem CID: 30876
DTXSID: DTXSID40176374
Nikkaji: J41.909E

Properties

Computed structural properties

XLogP: 0.7
Topological polar surface area: 67.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 0
Heavy atoms: 13
Formal charge: 0
Complexity: 204

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