3-Tert-butylphenyl 3-nitrobenzenesulfonate
Basic information
- CAS
25238-17-9- Standard SMILES
CC(C)(C)c1cccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1- InChIKey
DWZWWIIRIWQBRP-UHFFFAOYSA-N- Molecular formula
- C16H17NO5S
- Average molar mass
- 335.4 g/mol
- Monoisotopic mass
- 335.08274382
Names & identifiers
- Preferred name
- 3-Tert-butylphenyl 3-nitrobenzenesulfonate
- IUPAC
- (3-tert-butylphenyl) 3-nitrobenzenesulfonate
Names & synonyms
25238-17-93-tert-butylphenyl 3-nitrobenzenesulfonateNSC146153DTXSID90301750NSC-1461533-tert-Butylphenyl 3-nitrobenzene-1-sulfonate
Database identifiers
- CAS
25238-17-9- PubChem CID
- 286930
- DTXSID
DTXSID90301750
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 97.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 514
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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