Basic information
- CAS
113296-51-8- Standard SMILES
O=[N+]([O-])c1ccc(C2=NOC(COc3cccc([N+](=O)[O-])c3)C2)cc1- InChIKey
GOBMDCSJSPABNS-UHFFFAOYSA-N- Molecular formula
- C16H13N3O6
- Average molar mass
- 343.29 g/mol
- Monoisotopic mass
- 343.08043514
Names & identifiers
- Preferred name
- 5-[(3-Nitrophenoxy)methyl]-3-(4-nitrophenyl)-4,5-dihydro-1,2-oxazole
- IUPAC
- 5-[(3-nitrophenoxy)methyl]-3-(4-nitrophenyl)-4,5-dihydro-1,2-oxazole
Names & synonyms
113296-51-85-((3-Nitrophenoxy)methyl)-3-(4-nitrophenyl)-4,5-dihydroisoxazole5-[(3-Nitrophenoxy)methyl]-3-(4-nitrophenyl)-4,5-dihydro-1,2-oxazoleDTXSID90548143
Database identifiers
- CAS
113296-51-8- PubChem CID
- 13740973
- DTXSID
DTXSID90548143
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 122 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 521
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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