Basic information
- Standard SMILES
Clc1cncc(-c2cc(-c3ccc(Cl)c(Cl)c3)on2)c1- InChIKey
FQCIMNGZVNMJQZ-UHFFFAOYSA-N- Molecular formula
- C14H7Cl3N2O
- Average molar mass
- 325.6 g/mol
Names & identifiers
- Preferred name
- 3-(5-Chloropyridin-3-yl)-5-(3,4-dichlorophenyl)isoxazole
- IUPAC
- 3-(5-chloro-3-pyridinyl)-5-(3,4-dichlorophenyl)-1,2-oxazole
Names & synonyms
SCHEMBL4323854FQCIMNGZVNMJQZ-UHFFFAOYSA-N3-(5-Chloropyridin-3-yl)-5-(3,4-dichlorophenyl)isoxazole
Database identifiers
- PubChem CID
- 44546548
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 38.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 334
Related reactions
1 records
Compound notes
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