1-(7,8-dinitro-1,2,4,5-tetrahydro-1,5-methano-3H-3-benzazepin-3-yl)-2,2,2-trifluoroethanone (CAS 230615-59-5) — formula C13H10F3N3O5, molecular weight 345.23; category organic chemicals.
| CAS Number | 230615-59-5 |
|---|---|
| Molecular Formula | C13H10F3N3O5 |
| Molecular Weight | 345.23 |
| LogP | 2.2 |
| Category | Organic Chemicals |
1-(7,8-dinitro-1,2,4,5-tetrahydro-1,5-methano-3H-3-benzazepin-3-yl)-2,2,2-trifluoroethanone is a carbon-based organic compound with CAS registry number 230615-59-5 and molecular formula C13H10F3N3O5 (molecular weight 345.23), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 230615-59-5
Its molecular formula C13H10F3N3O5 comprises 13 C, 10 H, 3 F, 3 N, 5 O atoms.
Also known as: 1-(7,8-dinitro-1,2,4,5-tetrahydro-1,5-methano-3H-3-benzazepin-3-yl)-2,2,2-trifluoroethanone · 2,3,4,5-四氢-7,8-二硝基-3-(三氟乙酰基)-1,5-甲桥-1H-3-苯并氮杂卓
Category: organic chemicals
The CAS registry number of 1-(7,8-dinitro-1,2,4,5-tetrahydro-1,5-methano-3H-3-benzazepin-3-yl)-2,2,2-trifluoroethanone is 230615-59-5.
Molecular formula C13H10F3N3O5, molecular weight 345.23.
It is also registered under: 1-(7,8-dinitro-1,2,4,5-tetrahydro-1,5-methano-3H-3-benzazepin-3-yl)-2,2,2-trifluoroethanone, 2,3,4,5-四氢-7,8-二硝基-3-(三氟乙酰基)-1,5-甲桥-1H-3-苯并氮杂卓.
Category: Organic Chemicals.
Independent reference data for 1-(7,8-dinitro-1,2,4,5-tetrahydro-1,5-methano-3H-3-benzazepin-3-yl)-2,2,2-trifluoroethanone (CAS 230615-59-5), compiled from public chemistry databases.
| CAS 号 | 230615-59-5 |
|---|---|
| PubChem CID | 11267957 |
| 分子式 | C13H10F3N3O5 |
| IUPAC 名称 | 1-[(1R,8S)-4,5-dinitro-10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-trien-10-yl]-2,2,2-trifluoroethanone |
| UNII（FDA） | J4X7FKT7C2 |
| Molecular Weight | 345.23 |
|---|---|
| XLogP3 | 2.2 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 0 |
| Exact Mass | 345.05725491 |
| Monoisotopic Mass | 345.05725491 |
| Topological Polar Surface Area | 112 |
| Heavy Atom Count | 24 |
J4X7FKT7C2; SCHEMBL13916008; BDTXJBWOCIFUMR-KNVOCYPGSA-N; AC1190; AKOS025311312; 1-(4,5-Dinitro-10-azatricyclo[6.3.1.0^2,7^]dodeca-2,4,6-trien-10-yl)-2,2,2-trifluoroethanone; 1-[(1S,8R)-4,5-dinitro-10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-trien-10-yl]-2,2,2-trifluoroethanone
2,3,4,5-四氢-7,8-二硝基-3-(三氟乙酰基)-1,5-甲桥-1H-3-苯并氮杂卓 · CAS 230615-59-5 · C13H10F3N3O5. UNII J4X7FKT7C2.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.