3,5,6-Trichloropyridine
Basic information
- CAS
66651-97-6- Standard SMILES
O=P(O)(O)Sc1nc(Cl)c(Cl)cc1Cl- InChIKey
HETBVMSHRPRFQU-UHFFFAOYSA-N- Molecular formula
- C5H3Cl3NO3PS
- Average molar mass
- 294.5 g/mol
- Monoisotopic mass
- 292.863684
Names & identifiers
- Preferred name
- 3,5,6-Trichloropyridine
- IUPAC
- (3,5,6-trichloro-2-pyridinyl)sulfanylphosphonic acid
Names & synonyms
3,5,6-TRICHLOROPYRIDINE66651-97-6SCHEMBL27542334DTXSID40216825S-(3,5,6-Trichloropyridin-2-yl) dihydrogen phosphorothioate
Database identifiers
- CAS
66651-97-6- PubChem CID
- 47980
- DTXSID
DTXSID40216825
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 95.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 252
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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