Basic information
- Standard SMILES
COC(=O)c1sc(-c2ccc(C(F)(F)F)cc2)cc1CBr- InChIKey
OTOSJKAEWLNIIY-UHFFFAOYSA-N- Molecular formula
- C14H10BrF3O2S
- Average molar mass
- 379.19 g/mol
Names & identifiers
- Preferred name
- Methyl 3-(bromomethyl)-5-[4-(trifluoromethyl)phenyl]thiophene-2-carboxylate
- IUPAC
- methyl 3-(bromomethyl)-5-[4-(trifluoromethyl)phenyl]thiophene-2-carboxylate
Names & synonyms
methyl 3-(bromomethyl)-5-[4-(trifluoromethyl)phenyl]thiophene-2-carboxylateSCHEMBL5860633
Database identifiers
- PubChem CID
- 21986302
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 54.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 370
Related reactions
3 records
Compound notes
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