Basic information
- Standard SMILES
COc1nc(C(=O)c2ccc(OCCCCO)c(Cl)c2)ccc1Cl- InChIKey
VXIQDVBMFNDOLT-UHFFFAOYSA-N- Molecular formula
- C17H17Cl2NO4
- Average molar mass
- 370.2 g/mol
- Monoisotopic mass
- 369.0534634
Names & identifiers
- Preferred name
- [3-Chloro-4-(4-hydroxybutoxy)phenyl](5-chloro-6-methoxypyridin-2-yl)methanone
- IUPAC
- [3-chloro-4-(4-hydroxybutoxy)phenyl]-(5-chloro-6-methoxy-2-pyridinyl)methanone
Names & synonyms
SCHEMBL2412800VXIQDVBMFNDOLT-UHFFFAOYSA-N[3-chloro-4-(4-hydroxybutoxy)phenyl](5-chloro-6-methoxypyridin-2-yl)methanone
Database identifiers
- PubChem CID
- 67398017
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 68.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 399
Related reactions
2 records
Compound notes
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