2-Ethylphenyl 3-nitrobenzenesulfonate
Basic information
- CAS
25238-10-2- Standard SMILES
CCc1ccccc1OS(=O)(=O)c1cccc([N+](=O)[O-])c1- InChIKey
IJLXULGUXAFEKD-UHFFFAOYSA-N- Molecular formula
- C14H13NO5S
- Average molar mass
- 307.32 g/mol
- Monoisotopic mass
- 307.05144369
Names & identifiers
- Preferred name
- 2-Ethylphenyl 3-nitrobenzenesulfonate
- IUPAC
- (2-ethylphenyl) 3-nitrobenzenesulfonate
Names & synonyms
25238-10-22-ethylphenyl 3-nitrobenzenesulfonateNSC146157SCHEMBL13724053DTXSID30301754NSC-1461572-Ethylphenyl 3-nitrobenzene-1-sulfonate
Database identifiers
- CAS
25238-10-2- PubChem CID
- 286934
- DTXSID
DTXSID30301754
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
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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