2,4,6-Trichlorobenzenesulfonate
Basic information
- CAS
104778-51-0- Standard SMILES
O=S(=O)(O)c1c(Cl)cc(Cl)cc1Cl- InChIKey
SJDXJURIQGALGO-UHFFFAOYSA-N- Molecular formula
- C6H3Cl3O3S
- Average molar mass
- 261.5 g/mol
- Monoisotopic mass
- 259.886848
Overview
RN given from first source; RN not in Chemline 3/87
Names & identifiers
- Preferred name
- 2,4,6-Trichlorobenzenesulfonate
- IUPAC
- 2,4,6-trichlorobenzenesulfonic acid
- English name
- 2,4,6-trichlorobenzenesulfonate
- Molecular formula
- C6H3Cl3O3S
- Molecular weight
- 261.51
Names & synonyms
2,4,6-Trichlorobenzenesulfonate104778-51-02,4,6-TcbsRefChem:820942,4,6-trichlorobenzenesulfonic acid2,4,6-Trichlorobenzene-1-sulfonic acidSCHEMBL3132764SCHEMBL18280205DTXSID00909201SJDXJURIQGALGO-UHFFFAOYSA-NBenzenesulfonic acid, 2,4,6-trichloro-
Database identifiers
- CAS
104778-51-0- PubChem CID
- 128671
- DTXSID
DTXSID00909201- Nikkaji
- J3.060.157B
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 62.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 261
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Related reactions
2 records
Compound notes
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