5-tert-buty-3-(3-nitrophenyl)-1,2,4-oxadiazole (CAS 1004398-30-4) — formula C12H13N3O3, molecular weight 247.25; category organic chemicals.
| CAS Number | 1004398-30-4 |
|---|---|
| Molecular Formula | C12H13N3O3 |
| Molecular Weight | 247.25 |
| LogP | 3.3 |
| Category | Organic Chemicals |
5-tert-buty-3-(3-nitrophenyl)-1,2,4-oxadiazole is a carbon-based organic compound with CAS registry number 1004398-30-4 and molecular formula C12H13N3O3 (molecular weight 247.25), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 1004398-30-4
Its molecular formula C12H13N3O3 comprises 12 C, 13 H, 3 N, 3 O atoms.
Also known as: 5-tert-buty-3-(3-nitrophenyl)-1,2,4-oxadiazole · 5-叔丁基-3-(3-硝基苯基)-1,2,4-恶二唑
Category: organic chemicals
The CAS registry number of 5-tert-buty-3-(3-nitrophenyl)-1,2,4-oxadiazole is 1004398-30-4.
Molecular formula C12H13N3O3, molecular weight 247.25.
It is also registered under: 5-tert-buty-3-(3-nitrophenyl)-1,2,4-oxadiazole, 5-叔丁基-3-(3-硝基苯基)-1,2,4-恶二唑.
Category: Organic Chemicals.
Independent reference data for 5-tert-buty-3-(3-nitrophenyl)-1,2,4-oxadiazole (CAS 1004398-30-4), compiled from public chemistry databases.
| CAS Registry Number | 1004398-30-4 |
|---|---|
| PubChem CID | 8895470 |
| Molecular formula | C12H13N3O3 |
| IUPAC name | 5-tert-butyl-3-(3-nitrophenyl)-1,2,4-oxadiazole |
| Molecular Weight | 247.25 |
|---|---|
| XLogP3 | 3.3 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 2 |
| Exact Mass | 247.09569129 |
| Monoisotopic Mass | 247.09569129 |
| Topological Polar Surface Area | 84.7 |
| Heavy Atom Count | 18 |
1004398-30-4; 5-tert-butyl-3-(3-nitrophenyl)-1,2,4-oxadiazole; 5-(tert-Butyl)-3-(3-nitrophenyl)-1,2,4-oxadiazole; MFCD02310126; 1,2,4-Oxadiazole, 5-(1,1-dimethylethyl)-3-(3-nitrophenyl)-; DTXSID50429262; AKOS015838103; BS-19038; DB-368824; 5-tert-Butyl 3-(3-nitrophenyl)-1,2,4-oxadiazole
5-tert-buty-3-(3-nitrophenyl)-1,2,4-oxadiazole · CAS 1004398-30-4 · C12H13N3O3.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.