2,3,4,5,6-Pentachlorobenzenesulfonic acid
Basic information
- CAS
40707-29-7- Standard SMILES
O=S(=O)(O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl- InChIKey
HTGQVPLFCQARQE-UHFFFAOYSA-N- Molecular formula
- C6HCl5O3S
- Average molar mass
- 330.4 g/mol
- Monoisotopic mass
- 327.808904
Names & identifiers
- Preferred name
- 2,3,4,5,6-Pentachlorobenzenesulfonic acid
- IUPAC
- 2,3,4,5,6-pentachlorobenzenesulfonic acid
Names & synonyms
2,3,4,5,6-pentachlorobenzenesulfonic acid40707-29-7NSC526655SCHEMBL3126404DTXSID00326313NSC-526655DS-003482NS000019102,3,4,5,6-Pentachlorobenzene-1-sulfonic acid
Database identifiers
- CAS
40707-29-7- PubChem CID
- 352502
- DTXSID
DTXSID00326313
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 62.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 312
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Compound notes
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