Basic information
- CAS
918-53-6- Standard SMILES
O=[N+]([O-])C(Cl)(CO)[N+](=O)[O-]- InChIKey
XQYDERLCYFKQIS-UHFFFAOYSA-N- Molecular formula
- C2H3ClN2O5
- Average molar mass
- 170.51 g/mol
- Monoisotopic mass
- 169.9730489
Names & identifiers
- Preferred name
- Ethanol, 2-chloro-2,2-dinitro-
- IUPAC
- 2-chloro-2,2-dinitroethanol
- English name
- 2-Chloro-2,2-dinitroethanol
- Molecular weight
- 0
Names & synonyms
Ethanol, 2-chloro-2,2-dinitro-918-53-6RefChem:10844782-Chloro-2,2-dinitroethanolBRN 18416132-Chloro-2,2-dinitroethan-1-olSCHEMBL8921849DTXSID10919513
Database identifiers
- CAS
918-53-6- PubChem CID
- 79120
- DTXSID
DTXSID10919513- Nikkaji
- J49.826B
Properties
Computed structural properties
- XLogP
- 0
- 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
Experimental & physicochemical properties
SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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