Pyridine, 2-(3,4-dichlorophenoxy)-6-(methylsulfonyl)-
Basic information
- CAS
85331-21-1- Standard SMILES
CS(=O)(=O)c1cccc(Oc2ccc(Cl)c(Cl)c2)n1- InChIKey
KBCUPDAYKULMPT-UHFFFAOYSA-N- Molecular formula
- C12H9Cl2NO3S
- Average molar mass
- 318.2 g/mol
- Monoisotopic mass
- 316.9680197
Names & identifiers
- Preferred name
- Pyridine, 2-(3,4-dichlorophenoxy)-6-(methylsulfonyl)-
- IUPAC
- 2-(3,4-dichlorophenoxy)-6-methylsulfonylpyridine
Names & synonyms
85331-21-1Pyridine, 2-(3,4-dichlorophenoxy)-6-(methylsulfonyl)-2-(3,4-dichlorophenoxy)-6-(methylsulfonyl)pyridineCHEMBL344374SCHEMBL10922769DTXSID702345322-(3,4-dichlorophenoxy)-6-methylsulfonyl-pyridine2-(3,4-Dichlorophenoxy)-6-(methanesulfonyl)pyridine
Database identifiers
- CAS
85331-21-1- PubChem CID
- 514896
- DTXSID
DTXSID70234532- ChEMBL
CHEMBL344374
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 64.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 398
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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