Basic information
- CAS
113296-49-4- Standard SMILES
O=[N+]([O-])c1cccc(OCC2CC(c3ccccc3)=NO2)c1- InChIKey
POJTURYSCNARIJ-UHFFFAOYSA-N- Molecular formula
- C16H14N2O4
- Average molar mass
- 298.29 g/mol
- Monoisotopic mass
- 298.09535693
Names & identifiers
- Preferred name
- 5-[(3-Nitrophenoxy)methyl]-3-phenyl-4,5-dihydro-1,2-oxazole
- IUPAC
- 5-[(3-nitrophenoxy)methyl]-3-phenyl-4,5-dihydro-1,2-oxazole
Names & synonyms
113296-49-45-((3-Nitrophenoxy)methyl)-3-phenyl-4,5-dihydroisoxazole5-[(3-Nitrophenoxy)methyl]-3-phenyl-4,5-dihydro-1,2-oxazoleDTXSID30548142
Database identifiers
- CAS
113296-49-4- PubChem CID
- 13740971
- DTXSID
DTXSID30548142
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 76.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 415
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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