Methane, chlorodinitroiodo-
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Basic information
- CAS
40956-65-8- Standard SMILES
O=[N+]([O-])C(Cl)(I)[N+](=O)[O-]- InChIKey
KQQOMBMZONPEKY-UHFFFAOYSA-N- Molecular formula
- CClIN2O4
- Average molar mass
- 266.38 g/mol
- Monoisotopic mass
- 265.85913
Names & identifiers
- Preferred name
- Methane, chlorodinitroiodo-
- IUPAC
- chloro-iodo-dinitromethane
- English name
- Chloro(iodo)dinitromethane
- Molecular formula
- CClIN2O4
- Molecular weight
- 266.38
Names & synonyms
METHANE, CHLORODINITROIODO-40956-65-8DTXSID30193959RefChem:1089045DTXCID20116450ChlorodinitroiodomethaneBRN 1772873Chloro(iodo)dinitromethaneMethane, chloroiododinitro-chloroiododinitro-methaneChloro(iodo)di(nitro)methane2-01-00-00045 (Beilstein Handbook Reference)
Database identifiers
- CAS
40956-65-8- PubChem CID
- 38723
- DTXSID
DTXSID30193959- Nikkaji
- J41.670C
Properties
Computed structural propertiesFilling in
- XLogP
- 1.4
- 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
- 134
Experimental & physicochemical properties
SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy
Physicochemical properties
- Boiling point
- 158.6 · 158.6±40.0 °C(Predicted)
- Density
- 2.1424 g/cm3 · 2.1424 g/cm3(Temp: 12 °C)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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