Basic information
- CAS
7119-88-2- Standard SMILES
CC(Br)(Br)[N+](=O)[O-]- InChIKey
RNKVJTCBQRLSRY-UHFFFAOYSA-N- Molecular formula
- C2H3Br2NO2
- Average molar mass
- 232.86 g/mol
- Monoisotopic mass
- 230.85305
Names & identifiers
- Preferred name
- 1,1-Dibromo-1-nitroethane
- IUPAC
- 1,1-dibromo-1-nitroethane
- English name
- 1,1-Dibromo-1-nitroethane
- Molecular formula
- C2H3Br2NO2
- Molecular weight
- 232.86
Names & synonyms
1,1-Dibromo-1-nitroethaneEthane, 1,1-dibromo-1-nitro-5PM3GQ3QASNSC 17669BRN 17511901,1-DibromonitroethaneNSC-17669DTXSID702213863-01-00-00203 (Beilstein Handbook Reference)RefChem:71012DTXCID70143877RNKVJTCBQRLSRY-UHFFFAOYSA-N
Show more names
7119-88-2dibromonitroethaneNSC17669UNII-5PM3GQ3QASWLN: WNXEE1Ethane,1-dibromo-1-nitro-SCHEMBL8060213SCHEMBL28013679
Database identifiers
- CAS
7119-88-2- PubChem CID
- 95100
- DTXSID
DTXSID70221386- UNII
- 5PM3GQ3QAS
- Nikkaji
- J42.995C
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 45.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 86.2
Experimental & physicochemical properties
SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy
Physicochemical properties
- FDA UNII
- 5 PM3GQ3QAS · 5PM3GQ3QAS
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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