Basic information
- CAS
14716-73-5- Standard SMILES
CC[NH+](CC)Cc1cc(-c2ccc(Cl)cc2)no1.[Cl-]- InChIKey
VYBFHFFWHMWJKC-UHFFFAOYSA-N- Molecular formula
- C14H18Cl2N2O
- Average molar mass
- 301.2 g/mol
- Monoisotopic mass
- 300.0796186
Names & identifiers
- Preferred name
- Isoxazole, 3-(p-chlorophenyl)-5-(diethylaminomethyl)-, hydrochloride
- IUPAC
- [3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl-diethylazanium chloride
Names & synonyms
3-(p-Chlorophenyl)-5-(diethylaminomethyl)isoxazole hydrochloride14716-73-5ISOXAZOLE, 3-(p-CHLOROPHENYL)-5-(DIETHYLAMINOMETHYL)-, HYDROCHLORIDERefChem:350210
Database identifiers
- CAS
14716-73-5- PubChem CID
- 26835
Properties
Computed structural properties
- Topological polar surface area
- 30.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 240
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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