Benzoyl chloride, 4-(ethylthio)-2-(trifluoromethyl)-
Basic information
- CAS
143659-75-0- Standard SMILES
CCSc1ccc(C(=O)Cl)c(C(F)(F)F)c1- InChIKey
SMELSMXGKSCRPG-UHFFFAOYSA-N- Molecular formula
- C10H8ClF3OS
- Average molar mass
- 268.68 g/mol
- Monoisotopic mass
- 267.9936482
Names & identifiers
- Preferred name
- Benzoyl chloride, 4-(ethylthio)-2-(trifluoromethyl)-
- IUPAC
- 4-ethylsulfanyl-2-(trifluoromethyl)benzoyl chloride
Names & synonyms
Benzoyl chloride, 4-(ethylthio)-2-(trifluoromethyl)-143659-75-0SCHEMBL9172151DTXSID80617650SMELSMXGKSCRPG-UHFFFAOYSA-N4-(Ethylsulfanyl)-2-(trifluoromethyl)benzoyl chloride
Database identifiers
- CAS
143659-75-0- PubChem CID
- 21739366
- DTXSID
DTXSID80617650
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 42.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 257
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Compound notes
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