Basic information
- CAS
90842-39-0- Standard SMILES
CCOC(=O)c1ccc(SC(Cl)(Cl)Cl)cc1- InChIKey
SSJJVTBRVMDXCH-UHFFFAOYSA-N- Molecular formula
- C10H9Cl3O2S
- Average molar mass
- 299.6 g/mol
- Monoisotopic mass
- 297.938884
Names & identifiers
- Preferred name
- Ethyl 4-(trichloromethylsulfanyl)benzoate
- IUPAC
- ethyl 4-(trichloromethylsulfanyl)benzoate
Names & synonyms
90842-39-0ethyl 4-(trichloromethylsulfanyl)benzoateNSC407071DTXSID20324558NSC-407071Ethyl 4-[(trichloromethyl)sulfanyl]benzoate
Database identifiers
- CAS
90842-39-0- PubChem CID
- 348043
- DTXSID
DTXSID20324558
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 51.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 235
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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