2-Pyridinecarboxylic acid, 3,6-dichloro-, decyl ester
Basic information
- CAS
119805-52-6- Standard SMILES
CCCCCCCCCCOC(=O)c1nc(Cl)ccc1Cl- InChIKey
CBLCSWNYVSKUON-UHFFFAOYSA-N- Molecular formula
- C16H23Cl2NO2
- Average molar mass
- 332.3 g/mol
- Monoisotopic mass
- 331.1105844
Names & identifiers
- Preferred name
- 2-Pyridinecarboxylic acid, 3,6-dichloro-, decyl ester
- IUPAC
- decyl 3,6-dichloropyridine-2-carboxylate
Names & synonyms
119805-52-62-Pyridinecarboxylic acid, 3,6-dichloro-, decyl esterDecyl 3,6-dichloropyridine-2-carboxylateClopyralid 1-decyl esterDTXSID70152601
Database identifiers
- CAS
119805-52-6- PubChem CID
- 189701
- DTXSID
DTXSID70152601
Properties
Computed structural properties
- XLogP
- 7.1
- Topological polar surface area
- 39.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 11
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 289
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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