Basic information
- CAS
116806-75-8- Standard SMILES
CS(=O)(=O)c1cc(Cl)c(-c2cc(Cl)ccc2Cl)c(Cl)c1Cl- InChIKey
ODJYBMGJSMYYQJ-UHFFFAOYSA-N- Molecular formula
- C13H7Cl5O2S
- Average molar mass
- 404.5 g/mol
- Monoisotopic mass
- 401.860939
Names & identifiers
- Preferred name
- 1,1'-Biphenyl, 2,2',3,5',6-pentachloro-4-(methylsulfonyl)-
- IUPAC
- 1,3,4-trichloro-2-(2,5-dichlorophenyl)-5-methylsulfonylbenzene
Names & synonyms
4-(Methylsulfonyl)-PCB 951,1'-Biphenyl, 2,2',3,5',6-pentachloro-4-(methylsulfonyl)-116806-75-8
Database identifiers
- CAS
116806-75-8- PubChem CID
- 85565880
Properties
Computed structural properties
- XLogP
- 5.4
- 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
- 466
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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