Basic information
- CAS
17960-21-3- Standard SMILES
CC(=O)c1c(-c2ccc([N+](=O)[O-])o2)noc1-c1ccccc1- InChIKey
KLYYANDIYRHSRO-UHFFFAOYSA-N- Molecular formula
- C15H10N2O5
- Average molar mass
- 298.25 g/mol
- Monoisotopic mass
- 298.05897142
Names & identifiers
- Preferred name
- Ketone, methyl 3-(5-nitro-2-furyl)-5-phenyl-4-isoxazolyl
- IUPAC
- 1-[3-(5-nitrofuran-2-yl)-5-phenyl-1,2-oxazol-4-yl]ethanone
Names & synonyms
KETONE, METHYL 3-(5-NITRO-2-FURYL)-5-PHENYL-4-ISOXAZOLYL17960-21-3BRN 0559616Methyl 3-(5-nitro-2-furyl)-5-phenyl-4-isoxazolyl ketoneDTXSID901708421-[3-(5-Nitrofuran-2-yl)-5-phenyl-1,2-oxazol-4-yl]ethan-1-one
Database identifiers
- CAS
17960-21-3- PubChem CID
- 28855
- DTXSID
DTXSID90170842
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 432
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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