2-(Propan-2-yl)phenyl 3-nitrobenzenesulfonate
Basic information
- CAS
25238-13-5- Standard SMILES
CC(C)c1ccccc1OS(=O)(=O)c1cccc([N+](=O)[O-])c1- InChIKey
WYIGMWNOCZPCKU-UHFFFAOYSA-N- Molecular formula
- C15H15NO5S
- Average molar mass
- 321.3 g/mol
- Monoisotopic mass
- 321.06709375
Names & identifiers
- Preferred name
- 2-(Propan-2-yl)phenyl 3-nitrobenzenesulfonate
- IUPAC
- (2-propan-2-ylphenyl) 3-nitrobenzenesulfonate
Names & synonyms
25238-13-52-(propan-2-yl)phenyl 3-nitrobenzenesulfonateNSC146156DTXSID70301753NSC-1461562-(Propan-2-yl)phenyl 3-nitrobenzene-1-sulfonate
Database identifiers
- CAS
25238-13-5- PubChem CID
- 286933
- DTXSID
DTXSID70301753
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
- 479
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Related reactions
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Compound notes
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