3-Methylsulfonyl-3',4,4',5,5'-pentachlorobiphenyl
Basic information
- CAS
128742-33-6- Standard SMILES
CS(=O)(=O)c1cc(-c2cc(Cl)c(Cl)c(Cl)c2)cc(Cl)c1Cl- InChIKey
WIUXFVIEYQIXJN-UHFFFAOYSA-N- Molecular formula
- C13H7Cl5O2S
- Average molar mass
- 404.5 g/mol
- Monoisotopic mass
- 401.860939
Names & identifiers
- Preferred name
- 3-Methylsulfonyl-3',4,4',5,5'-pentachlorobiphenyl
- IUPAC
- 1,2-dichloro-3-methylsulfonyl-5-(3,4,5-trichlorophenyl)benzene
Names & synonyms
3-Methylsulfonyl-3',4,4',5,5'-pentachlorobiphenyl128742-33-6DTXSID501559783,3',4,4',5-Pentachloro-5'-(methanesulfonyl)-1,1'-biphenyl
Database identifiers
- CAS
128742-33-6- PubChem CID
- 148113
- DTXSID
DTXSID50155978- Nikkaji
- J487.108A
Properties
Computed structural properties
- XLogP
- 5.9
- 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
- 454
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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