Methane, chlorodinitro-
Basic information
- CAS
921-13-1- Standard SMILES
O=[N+]([O-])C(Cl)[N+](=O)[O-]- InChIKey
ZRZHWNKHBGRJKD-UHFFFAOYSA-N- Molecular formula
- CHClN2O4
- Average molar mass
- 140.48 g/mol
- Monoisotopic mass
- 139.9624842
Names & identifiers
- Preferred name
- Methane, chlorodinitro-
- IUPAC
- chloro(dinitro)methane
- English name
- Chlorodinitromethane
- Molecular weight
- 0
Names & synonyms
ChlorodinitromethaneMETHANE, CHLORODINITRO-BRN 1764438DTXSID402388603-01-00-00115 (Beilstein Handbook Reference)RefChem:156904DTXCID90161351921-13-1Chlorodi(nitro)methaneSCHEMBL2581132SCHEMBL28394667
Database identifiers
- CAS
921-13-1- PubChem CID
- 13532
- DTXSID
DTXSID40238860- Nikkaji
- J41.669J
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 91.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 98.2
Experimental & physicochemical properties
SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy
Physicochemical properties
- Density
- 1.6125 · 1.6125
- refractive index
- 1.4575 · 1.4575 (estimate)
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Related reactions
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Compound notes
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