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Basic information
- Standard SMILES
Cc1oncc1C(=O)c1ccc(Cl)cc1- InChIKey
JXKBECUCDVJFOQ-UHFFFAOYSA-N- Molecular formula
- C11H8ClNO2
- Average molar mass
- 221.64 g/mol
- Monoisotopic mass
- 221.0243562
Names & identifiers
- Preferred name
- 4-(4-Chlorobenzoyl)-5-methylisoxazole
- IUPAC
- (4-chlorophenyl)-(5-methyl-1,2-oxazol-4-yl)methanone
Names & synonyms
SCHEMBL8492922JXKBECUCDVJFOQ-UHFFFAOYSA-N4-(4-chlorobenzoyl)-5-methylisoxazole
Database identifiers
- PubChem CID
- 53979679
Properties
Computed structural propertiesFilling in
- XLogP
- 2.7
- Topological polar surface area
- 43.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 239
Related reactions
5 records
Compound notes
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