1,1,1-Trifluoro-2-methylpropan-2-yl 4-methylbenzenesulfinate
Basic information
- CAS
23730-27-0- Standard SMILES
Cc1ccc(S(=O)OC(C)(C)C(F)(F)F)cc1- InChIKey
MJNLCPYFGOMXQV-UHFFFAOYSA-N- Molecular formula
- C11H13F3O2S
- Average molar mass
- 266.28 g/mol
- Monoisotopic mass
- 266.05883531
Names & identifiers
- Preferred name
- 1,1,1-Trifluoro-2-methylpropan-2-yl 4-methylbenzenesulfinate
- IUPAC
- (1,1,1-trifluoro-2-methylpropan-2-yl) 4-methylbenzenesulfinate
Names & synonyms
23730-27-01,1,1-trifluoro-2-methylpropan-2-yl 4-methylbenzenesulfinateNSC150805DTXSID60302395NSC-1508051,1,1-Trifluoro-2-methylpropan-2-yl 4-methylbenzene-1-sulfinate
Database identifiers
- CAS
23730-27-0- PubChem CID
- 289148
- DTXSID
DTXSID60302395
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 45.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 281
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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