3-(4-Methylphenyl)-5-(nitromethyl)-4,5-dihydro-1,2-oxazole
Basic information
- CAS
106726-25-4- Standard SMILES
Cc1ccc(C2=NOC(C[N+](=O)[O-])C2)cc1- InChIKey
PFFGHHLOJNJNNJ-UHFFFAOYSA-N- Molecular formula
- C11H12N2O3
- Average molar mass
- 220.22 g/mol
- Monoisotopic mass
- 220.08479225
Names & identifiers
- Preferred name
- 3-(4-Methylphenyl)-5-(nitromethyl)-4,5-dihydro-1,2-oxazole
- IUPAC
- 3-(4-methylphenyl)-5-(nitromethyl)-4,5-dihydro-1,2-oxazole
Names & synonyms
106726-25-45-(Nitromethyl)-3-(p-tolyl)-4,5-dihydroisoxazole3-(4-Methylphenyl)-5-(nitromethyl)-4,5-dihydro-1,2-oxazoleDTXSID10543675
Database identifiers
- CAS
106726-25-4- PubChem CID
- 13554183
- DTXSID
DTXSID10543675
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 67.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 290
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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