Basic information
- Standard SMILES
Clc1ccc(-c2cc(-c3cncc(Cl)c3)no2)cc1- InChIKey
OSRRMYFOSPKCJG-UHFFFAOYSA-N- Molecular formula
- C14H8Cl2N2O
- Average molar mass
- 291.1 g/mol
Names & identifiers
- Preferred name
- 5-(4-Chlorophenyl)-3-(5-chloropyridin-3-yl)isoxazole
- IUPAC
- 5-(4-chlorophenyl)-3-(5-chloro-3-pyridinyl)-1,2-oxazole
Names & synonyms
SCHEMBL4318582OSRRMYFOSPKCJG-UHFFFAOYSA-N5-(4-Chlorophenyl)-3-(5-chloropyridin-3-yl)isoxazole
Database identifiers
- PubChem CID
- 44545539
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 38.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 297
Related reactions
1 records
Compound notes
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