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Basic information
- Standard SMILES
Cc1ccc2c(c1)C=C(C(=O)O)C(C(F)(F)F)S2- InChIKey
LQOIQVWGFCVBHI-UHFFFAOYSA-N- Molecular formula
- C12H9F3O2S
- Average molar mass
- 274.26 g/mol
- Monoisotopic mass
- 274.02753519
Names & identifiers
- Preferred name
- 6-Methyl-2-(trifluoromethyl)-2H-1-benzothiopyran-3-carboxylic acid
- IUPAC
- 6-methyl-2-(trifluoromethyl)-2H-thiochromene-3-carboxylic acid
Names & synonyms
6-Methyl-2-(trifluoromethyl)-2H-1-benzothiopyran-3-carboxylic acidSCHEMBL6093320
Database identifiers
- PubChem CID
- 21883530
Properties
Computed structural propertiesFilling in
- XLogP
- 3.6
- Topological polar surface area
- 62.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 378
Related reactions
7 records
Compound notes
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