Basic information
- CAS
85650-12-0- Standard SMILES
O=S(=O)(OCCCl)c1cc(Cl)c(Cl)cc1Cl- InChIKey
SWNKSMKQKDDVSO-UHFFFAOYSA-N- Molecular formula
- C8H6Cl4O3S
- Average molar mass
- 324 g/mol
- Monoisotopic mass
- 321.879176
Names & identifiers
- Preferred name
- 2-Chloroethyl 2,4,5-trichlorobenzene-1-sulfonate
- IUPAC
- 2-chloroethyl 2,4,5-trichlorobenzenesulfonate
Names & synonyms
85650-12-0NSC3340412-Chloroethyl 2,4,5-trichlorobenzene-1-sulfonateCHEMBL17012SCHEMBL11518438DTXSID40318691NSC-334041DS-0082011,2,4-Trichloro-5-(2-chloroethoxysulfonyl)benzene
Database identifiers
- CAS
85650-12-0- PubChem CID
- 333368
- DTXSID
DTXSID40318691- ChEMBL
CHEMBL17012
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 51.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 316
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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