Chloro(methanesulfonyl)dinitromethane
Basic information
- CAS
58300-69-9- Standard SMILES
CS(=O)(=O)C(Cl)([N+](=O)[O-])[N+](=O)[O-]- InChIKey
SKGUZTVRPDNVHU-UHFFFAOYSA-N- Molecular formula
- C2H3ClN2O6S
- Average molar mass
- 218.57 g/mol
- Monoisotopic mass
- 217.9400347
Names & identifiers
- Preferred name
- Chloro(methanesulfonyl)dinitromethane
- IUPAC
- chloro-methylsulfonyl-dinitromethane
Names & synonyms
Chloro(methanesulfonyl)dinitromethane58300-69-9DTXSID30631760RefChem:333737DTXCID40582512chlorodinitromethyl methyl sulfoneChloro(methanesulfonyl)di(nitro)methane
Database identifiers
- CAS
58300-69-9- PubChem CID
- 23263172
- DTXSID
DTXSID30631760
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 134 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 290
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Related reactions
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Compound notes
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