Basic information
- CAS
186267-77-6- Standard SMILES
Cc1c(Br)cc([N+](=O)[O-])c2c1COC(=O)N2- InChIKey
XVWWQWVOYAVZDW-UHFFFAOYSA-N- Molecular formula
- C9H7BrN2O4
- Average molar mass
- 287.07 g/mol
- Monoisotopic mass
- 285.95892
Names & identifiers
- Preferred name
- 2H-3,1-Benzoxazin-2-one, 6-bromo-1,4-dihydro-5-methyl-8-nitro-
- IUPAC
- 6-bromo-5-methyl-8-nitro-1,4-dihydro-3,1-benzoxazin-2-one
Names & synonyms
186267-77-62H-3,1-Benzoxazin-2-one, 6-bromo-1,4-dihydro-5-methyl-8-nitro-SCHEMBL7568459XVWWQWVOYAVZDW-UHFFFAOYSA-NDTXSID7011856746-Bromo-1,4-dihydro-5-methyl-8-nitro-2H-3,1-benzoxazin-2-one6-Bromo-5-methyl-8-nitro-1,4-dihydro-2H-3,1-benzoxazin-2-one6-Bromo-5-methyl-8-nitro-1,4-dihydro-benzo[d][1,3]-oxazin-2-one6-Bromo-5-methyl-8-nitro-1,4-dihydro-benzo[d][1,3]-oxazin-2one6-Bromo-5-methyl-8-nitro-1,4-dihydro-benzo[d][1,3]oxazin-2-one
Database identifiers
- CAS
186267-77-6- PubChem CID
- 10755682
- DTXSID
DTXSID701185674- Nikkaji
- J932.547F
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 84.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 319
Related reactions
4 records
Compound notes
Loading…