Basic information
- CAS
2972-95-4- Standard SMILES
CC(Cl)([N+](=O)[O-])[N+](=O)[O-]- InChIKey
WCEVKBJRFBEDHR-UHFFFAOYSA-N- Molecular formula
- C2H3ClN2O4
- Average molar mass
- 154.51 g/mol
- Monoisotopic mass
- 153.9781343
Names & identifiers
- Preferred name
- 1-Chloro-1,1-dinitroethane
- IUPAC
- 1-chloro-1,1-dinitroethane
- English name
- 1-Chloro-1,1-dinitroethane
- Molecular weight
- 0
Names & synonyms
1-Chloro-1,1-dinitroethaneETHANE, 1-CHLORO-1,1-DINITRO-2972-95-4DTXSID30183875RefChem:1055204DTXCID70106366BRN 1768472chlorodinitroethane1-Chloro-1,1-dinitro-ethaneSCHEMBL11150196AKOS006277384
Database identifiers
- CAS
2972-95-4- PubChem CID
- 18094
- DTXSID
DTXSID30183875- Nikkaji
- J42.991K
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 91.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 132
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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