8-Bromo-6-nitro-2H-1,4-benzoxazin-3(4H)-one
Basic information
- CAS
102065-95-2- Standard SMILES
O=C1COc2c(Br)cc([N+](=O)[O-])cc2N1- InChIKey
CMGDLHQDUGMAAW-UHFFFAOYSA-N- Molecular formula
- C8H5BrN2O4
- Average molar mass
- 273.04 g/mol
- Monoisotopic mass
- 271.94327
Names & identifiers
- Preferred name
- 8-Bromo-6-nitro-2H-1,4-benzoxazin-3(4H)-one
- IUPAC
- 8-bromo-6-nitro-4H-1,4-benzoxazin-3-one
Names & synonyms
SCHEMBL30329798SCHEMBL30329802DTXSID2012602838-Bromo-6-nitro-2H-1,4-benzoxazin-3(4H)-one102065-95-2
Database identifiers
- CAS
102065-95-2- PubChem CID
- 85529175
- DTXSID
DTXSID201260283
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 84.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 293
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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