Basic information
- Standard SMILES
COc1ccc(C(=O)Cc2c(Cl)cncc2Cl)c(O)c1O- InChIKey
AKCQHFGKRPCYBM-UHFFFAOYSA-N- Molecular formula
- C14H11Cl2NO4
- Average molar mass
- 328.1 g/mol
Names & identifiers
- Preferred name
- 2-(3,5-Dichloro-pyridin-4-yl)-1-(2,3-dihydroxy-4-methoxy-phenyl)-ethanone
- IUPAC
- 2-(3,5-dichloro-4-pyridinyl)-1-(2,3-dihydroxy-4-methoxyphenyl)ethanone
Names & synonyms
SCHEMBL1434081AKCQHFGKRPCYBM-UHFFFAOYSA-NDB-1481212-(3,5-Dichloro-pyridin-4-yl)-1-(2,3-dihydroxy-4-methoxy-phenyl)-ethanone2-(3,5-Dichloropyridin-4-yl)-1-(2,3-dihydroxy-4-methoxyphenyl)ethan-1-one208043-53-2
Database identifiers
- PubChem CID
- 22734331
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 79.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 361
Related reactions
6 records
Compound notes
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