Basic information
- CAS
104086-15-9- Standard SMILES
CS(=O)(=O)c1cc(-c2c(Cl)ccc(Cl)c2Cl)c(Cl)c(Cl)c1Cl- InChIKey
PAFCABGIXGPJEQ-UHFFFAOYSA-N- Molecular formula
- C13H6Cl6O2S
- Average molar mass
- 439 g/mol
- Monoisotopic mass
- 435.821967
Names & identifiers
- Preferred name
- 2,2',3,3',4,6'-Hexachloro-5-(methylsulfonyl)-1,1'-biphenyl
- IUPAC
- 2,3,4-trichloro-1-methylsulfonyl-5-(2,3,6-trichlorophenyl)benzene
Names & synonyms
104086-15-91,1'-Biphenyl, 2,2',3,3',4,6'-hexachloro-5-(methylsulfonyl)-2,2',3,3',4,6'-Hexachloro-5-(methylsulfonyl)-1,1'-biphenylDTXSID701462672,2',3,3',4,6'-Hexachloro-5-(methanesulfonyl)-1,1'-biphenyl
Database identifiers
- CAS
104086-15-9- PubChem CID
- 190702
- DTXSID
DTXSID70146267- Nikkaji
- J1.965.535K
Properties
Computed structural properties
- XLogP
- 6.3
- 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
- 495
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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