Basic information
- CAS
918-51-4- Standard SMILES
O=[N+]([O-])C(Br)(CO)[N+](=O)[O-]- InChIKey
KFEDHKQISIBCJO-UHFFFAOYSA-N- Molecular formula
- C2H3BrN2O5
- Average molar mass
- 214.96 g/mol
- Monoisotopic mass
- 213.92253
Names & identifiers
- Preferred name
- 2-Bromo-2,2-dinitroethan-1-ol
- IUPAC
- 2-bromo-2,2-dinitroethanol
- English name
- 2-Bromo-2,2-dinitroethanol
- Molecular weight
- 0
Names & synonyms
918-51-42-Bromo-2,2-dinitroethan-1-olDTXSID70919514RefChem:1062437DTXCID6013484432-Bromo-2,2-dinitroethanolBRN 1777631Ethanol, 2-bromo-2,2-dinitro-
Database identifiers
- CAS
918-51-4- PubChem CID
- 120459
- DTXSID
DTXSID70919514- Nikkaji
- J49.821A
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 144
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…