Basic information
- Standard SMILES
CCS(=O)(=O)c1ccc(Br)cc1C(F)(F)F- InChIKey
RYTFOGPVRLVAMF-UHFFFAOYSA-N- Molecular formula
- C9H8BrF3O2S
- Average molar mass
- 317.12 g/mol
Names & identifiers
- Preferred name
- 4-Bromo-1-(ethylsulfonyl)-2-(trifluoromethyl)benzene
- IUPAC
- 4-bromo-1-ethylsulfonyl-2-(trifluoromethyl)benzene
Names & synonyms
4-bromo-1-(ethylsulfonyl)-2-(trifluoromethyl)benzene873194-39-9SCHEMBL4194854DB-3400654-bromo-1-(ethylsulfonyl)-2-(trifluoromethyl)-benzene
Database identifiers
- PubChem CID
- 68950753
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 42.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 334
Related reactions
4 records
Compound notes
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