(4-Propan-2-ylphenyl) 3-nitrobenzenesulfonate
Basic information
- CAS
25238-15-7- Standard SMILES
CC(C)c1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1- InChIKey
VFJZEFREJOAXDO-UHFFFAOYSA-N- Molecular formula
- C15H15NO5S
- Average molar mass
- 321.3 g/mol
- Monoisotopic mass
- 321.06709375
Names & identifiers
- Preferred name
- (4-Propan-2-ylphenyl) 3-nitrobenzenesulfonate
- IUPAC
- (4-propan-2-ylphenyl) 3-nitrobenzenesulfonate
Names & synonyms
25238-15-7(4-propan-2-ylphenyl) 3-nitrobenzenesulfonateNSC146151DTXSID20301748NSC-1461514-(Propan-2-yl)phenyl 3-nitrobenzene-1-sulfonate
Database identifiers
- CAS
25238-15-7- PubChem CID
- 286928
- DTXSID
DTXSID20301748
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 97.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 471
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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