2,3,3',4',6-Pentachloro-5'-(methylsulfonyl)-1,1'-biphenyl
Basic information
- CAS
104086-10-4- Standard SMILES
CS(=O)(=O)c1cc(-c2c(Cl)ccc(Cl)c2Cl)cc(Cl)c1Cl- InChIKey
NZXYWVAILRNDNE-UHFFFAOYSA-N- Molecular formula
- C13H7Cl5O2S
- Average molar mass
- 404.5 g/mol
- Monoisotopic mass
- 401.860939
Names & identifiers
- Preferred name
- 2,3,3',4',6-Pentachloro-5'-(methylsulfonyl)-1,1'-biphenyl
- IUPAC
- 1,2,4-trichloro-3-(3,4-dichloro-5-methylsulfonylphenyl)benzene
Names & synonyms
104086-10-41,1'-Biphenyl, 2,3,3',4',6-pentachloro-5'-(methylsulfonyl)-2,3,3',4',6-pentachloro-5'-(methylsulfonyl)-1,1'-biphenylDTXSID701462622,3,3',4',6-Pentachloro-5'-(methanesulfonyl)-1,1'-biphenyl
Database identifiers
- CAS
104086-10-4- PubChem CID
- 190699
- DTXSID
DTXSID70146262
Properties
Computed structural properties
- XLogP
- 5.8
- 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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