4-Methylsulfonyl-3,3',4',5,5'-pentachlorobiphenyl
Basic information
- CAS
128759-99-9- Standard SMILES
CS(=O)(=O)c1c(Cl)cc(-c2cc(Cl)c(Cl)c(Cl)c2)cc1Cl- InChIKey
UMNNOCDFVJZPPM-UHFFFAOYSA-N- Molecular formula
- C13H7Cl5O2S
- Average molar mass
- 404.5 g/mol
- Monoisotopic mass
- 401.860939
Names & identifiers
- Preferred name
- 4-Methylsulfonyl-3,3',4',5,5'-pentachlorobiphenyl
- IUPAC
- 1,3-dichloro-2-methylsulfonyl-5-(3,4,5-trichlorophenyl)benzene
- English name
- 4-Methylsulfonyl-3,3',4',5,5'-pentachlorobiphenyl
- Molecular weight
- 0
Names & synonyms
128759-99-94-Methylsulfonyl-3,3',4',5,5'-pentachlorobiphenylDTXSID601559843,3',4,5,5'-Pentachloro-4'-(methanesulfonyl)-1,1'-biphenyl
Database identifiers
- CAS
128759-99-9- PubChem CID
- 148115
- DTXSID
DTXSID60155984- Nikkaji
- J487.109J
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 42.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 442
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Compound notes
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