3-Ethylphenyl 3-nitrobenzenesulfonate
Basic information
- CAS
25238-11-3- Standard SMILES
CCc1cccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1- InChIKey
JLVZJKIXDNEIEY-UHFFFAOYSA-N- Molecular formula
- C14H13NO5S
- Average molar mass
- 307.32 g/mol
- Monoisotopic mass
- 307.05144369
Names & identifiers
- Preferred name
- 3-Ethylphenyl 3-nitrobenzenesulfonate
- IUPAC
- (3-ethylphenyl) 3-nitrobenzenesulfonate
Names & synonyms
25238-11-33-ethylphenyl 3-nitrobenzenesulfonateNSC146158DTXSID90301755NSC-1461583-Ethylphenyl 3-nitrobenzene-1-sulfonate
Database identifiers
- CAS
25238-11-3- PubChem CID
- 286935
- DTXSID
DTXSID90301755
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 97.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 453
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Related reactions
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Compound notes
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