2-Methylsulfinyl-5-(trifluoromethyl)benzoic acid
Basic information
- CAS
53985-33-4- Standard SMILES
CS(=O)c1ccc(C(F)(F)F)cc1C(=O)O- InChIKey
ZNCDFZLBNYSJKX-UHFFFAOYSA-N- Molecular formula
- C9H7F3O3S
- Average molar mass
- 252.21 g/mol
- Monoisotopic mass
- 252.00679974
Names & identifiers
- Preferred name
- 2-Methylsulfinyl-5-(trifluoromethyl)benzoic acid
- IUPAC
- 2-methylsulfinyl-5-(trifluoromethyl)benzoic acid
Names & synonyms
2-methylsulfinyl-5-(trifluoromethyl)benzoic acid53985-33-4NSC301160DTXSID90316228NSC-301160DS-0134692-(Methanesulfinyl)-5-(trifluoromethyl)benzoic acid
Database identifiers
- CAS
53985-33-4- PubChem CID
- 327170
- DTXSID
DTXSID90316228
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 73.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 303
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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