Ethyl 2,4-dinitrobenzenesulfonate
Basic information
- CAS
3183-89-9- Standard SMILES
CCOS(=O)(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]- InChIKey
OXYBWFDZZUOBPR-UHFFFAOYSA-N- Molecular formula
- C8H8N2O7S
- Average molar mass
- 276.23 g/mol
- Monoisotopic mass
- 276.00522177
Names & identifiers
- Preferred name
- Ethyl 2,4-dinitrobenzenesulfonate
- IUPAC
- ethyl 2,4-dinitrobenzenesulfonate
Names & synonyms
3183-89-9ethyl 2,4-dinitrobenzenesulfonateNSC142137SCHEMBL8312040DTXSID40301265Ethyl 2,4-dinitrobenzene-1-sulfonateNSC-142137
Database identifiers
- CAS
3183-89-9- PubChem CID
- 285295
- DTXSID
DTXSID40301265
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 143 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 418
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Related reactions
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Compound notes
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