Basic information
- CAS
68257-76-1- Standard SMILES
Cc1noc(CC(CC(=O)c2ccccc2)c2ccc(Cl)cc2)c1[N+](=O)[O-]- InChIKey
PPXWCPRVCKPSFY-UHFFFAOYSA-N- Molecular formula
- C20H17ClN2O4
- Average molar mass
- 384.8 g/mol
Names & identifiers
- Preferred name
- 3-(4-Chlorophenyl)-4-{4-nitro-3-methyl-5-isoxazolyl}-1-phenyl-1-butanone
- IUPAC
- 3-(4-chlorophenyl)-4-(3-methyl-4-nitro-1,2-oxazol-5-yl)-1-phenylbutan-1-one
- English name
- 3-(4-chlorophenyl)-4-{4-nitro-3-methyl-5-isoxazolyl}-1-phenyl-1-butanone
- Molecular formula
- C20H17ClN2O4
- Molecular weight
- 384.81298
Names & synonyms
3-(4-chlorophenyl)-4-{4-nitro-3-methyl-5-isoxazolyl}-1-phenyl-1-butanoneAN-584/434083073-(4-chlorophenyl)-4-(3-methyl-4-nitro-1,2-oxazol-5-yl)-1-phenylbutan-1-one
Database identifiers
- CAS
68257-76-1
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 88.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 513
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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