Basic information
- Standard SMILES
COC(=O)c1cnc(C)cc1Oc1cc(Cl)ccc1Cl- InChIKey
CIACIHOECSDKQN-UHFFFAOYSA-N- Molecular formula
- C14H11Cl2NO3
- Average molar mass
- 312.1 g/mol
Names & identifiers
- Preferred name
- 4-(2,5-Dichloro-phenoxy)-6-methyl-nicotinic acid methyl ester
- IUPAC
- methyl 4-(2,5-dichlorophenoxy)-6-methylpyridine-3-carboxylate
Names & synonyms
SCHEMBL2217046CIACIHOECSDKQN-UHFFFAOYSA-N4-(2,5-dichloro-phenoxy)-6-methyl-nicotinic acid methyl ester
Database identifiers
- PubChem CID
- 67320451
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 48.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 342
Related reactions
6 records
Compound notes
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