2,3-Dichloro-4-(propylsulfonyl)pyridine

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Basic information

CAS: 85847-73-0
Standard SMILES: CCCS(=O)(=O)c1ccnc(Cl)c1Cl
InChIKey: WGTIOTDAHDMWLR-UHFFFAOYSA-N
Molecular formula: C8H9Cl2NO2S
Average molar mass: 254.13 g/mol
Monoisotopic mass: 252.9731051

Names & identifiers

Preferred name: 2,3-Dichloro-4-(propylsulfonyl)pyridine
IUPAC: 2,3-dichloro-4-propylsulfonylpyridine

Names & synonyms

2,3-Dichloro-4-(propylsulfonyl)pyridine85847-73-0Dowicil A 40Pyridine, 2,3-dichloro-4-(propylsulfonyl)-DTXSID60729262,3-Dichloro-4-(propane-1-sulfonyl)pyridine

Database identifiers

CAS: 85847-73-0
PubChem CID: 62295
DTXSID: DTXSID6072926

Properties

Computed structural properties

XLogP: 2.6
Topological polar surface area: 55.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 14
Formal charge: 0
Complexity: 276

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Compound notes

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