RefChem:1094024
2-[(E)-2-(3,5-dinitrophenyl)ethenyl]-4,4-dimethyl-5H-1,3-oxazole;hydrochloride
Also Known As: (E)-2-(3,5-Dinitrostyryl)-4,4-dimethyl-2-oxazoline hydrochloride|Oxazole, 4,5-dihydro-4,4-dimethyl-2-(2-(3,5-dinitrophenyl)ethenyl)-, monohydrochloride, (E)-|(E)-4,5-Dihydro-4,4-dimethyl-2-(2-(3,5-dinitrophenyl)ethenyl)oxazole monohydrochloride|2-[(E)-2-(3,5-dinitrophenyl)ethenyl]-4,4-dimethyl-5H-1,3-oxazole hydrochloride
CAS: 100098-75-7
| Molecular Formula | C13H14ClN3O5 |
|---|---|
| Molecular Weight | 327.0622 g/mol |
| LogP | 3.1453 |
| Topological Polar Surface Area | 107.87 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 327.0622 |
| Monoisotopic Mass | 327.0622 |
| Heavy Atoms | 22 |
| Complexity | 637.38947 |
Chemical Identifiers
| CAS Number | 100098-75-7 |
|---|---|
| SMILES | CC1(COC(=N1)/C=C/C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])C.Cl |
Product Overview
RefChem:1094024 (CAS 100098-75-7), with molecular formula C13H14ClN3O5 and molecular weight 327.0622 g/mol. IUPAC: 2-[(E)-2-(3,5-dinitrophenyl)ethenyl]-4,4-dimethyl-5H-1,3-oxazole;hydrochloride.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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