1,1'-Biphenyl, 2,2',3,5,5',6-hexachloro-4'-(methylsulfonyl)-
Basic information
- CAS
104086-14-8- Standard SMILES
CS(=O)(=O)c1cc(Cl)c(-c2c(Cl)c(Cl)cc(Cl)c2Cl)cc1Cl- InChIKey
JPDNBGHZJAPPJV-UHFFFAOYSA-N- Molecular formula
- C13H6Cl6O2S
- Average molar mass
- 439 g/mol
- Monoisotopic mass
- 435.821967
Names & identifiers
- Preferred name
- 1,1'-Biphenyl, 2,2',3,5,5',6-hexachloro-4'-(methylsulfonyl)-
- IUPAC
- 1,2,4,5-tetrachloro-3-(2,5-dichloro-4-methylsulfonylphenyl)benzene
Names & synonyms
104086-14-81,1'-Biphenyl, 2,2',3,5,5',6-hexachloro-4'-(methylsulfonyl)-2,2',3,5,5',6-Hexachloro-4'-(methylsulfonyl)-1,1'-biphenylDTXSID101462662,2',3,5,5',6-Hexachloro-4'-(methanesulfonyl)-1,1'-biphenyl
Database identifiers
- CAS
104086-14-8- PubChem CID
- 149200
- DTXSID
DTXSID10146266- Nikkaji
- J1.179.734B
Properties
Computed structural properties
- XLogP
- 6.1
- Topological polar surface area
- 42.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 481
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Compound notes
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