2-chlorodibenz(b,f)(1,4)oxazepin-11(10H)-one (CAS 3158-91-6) — formula C13H8ClNO2, molecular weight 245.66; category organic chemicals.
2-chlorodibenz(b,f)(1,4)oxazepin-11(10H)-one is a carbon-based organic compound with CAS registry number 3158-91-6 and molecular formula C13H8ClNO2 (molecular weight 245.66), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 3158-91-6
Its molecular formula C13H8ClNO2 comprises 13 C, 8 H, 1 Cl, 1 N, 2 O atoms.
Also known as: 2-chlorodibenz(b,f)(1,4)oxazepin-11(10H)-one · 2-Chlorodibenz[b,f][1,4]oxazepin-11(10H)-one
Category: organic chemicals
The CAS registry number of 2-chlorodibenz(b,f)(1,4)oxazepin-11(10H)-one is 3158-91-6.
Molecular formula C13H8ClNO2, molecular weight 245.66.
It is also registered under: 2-chlorodibenz(b,f)(1,4)oxazepin-11(10H)-one, 2-Chlorodibenz[b,f][1,4]oxazepin-11(10H)-one.
Category: Organic Chemicals.
Public-database records for 2-chlorodibenz(b,f)(1,4)oxazepin-11(10H)-one (CAS 3158-91-6), reproduced here for independent cross-checking.
| CAS 号 | 3158-91-6 |
|---|---|
| PubChem CID | 76619 |
| 分子式 | C13H8ClNO2 |
| IUPAC 名称 | 3-chloro-5H-benzo[b][1,4]benzoxazepin-6-one |
| UNII（FDA） | NS00029141 |
DTXSID4057714; 2-Chlorodibenz(b,f)-1,4-oxazepin-11(10H)-one; DTXCID5031503; RefChem:259483; 8-chlorodibenzo[b,f][1,4]oxazepin-11(10H)-one; 3158-76-7; SR-01000945207; dibenz[b,f][1,4]oxazepin-11(10h)-one, 8-chloro-; SCHEMBL172370; CHEMBL3183108; 8-chloro-10,11-dihydrodibenz[b,f][1,4]oxazepin-11-one; CQTGCCLTIDNYHT-UHFFFAOYSA-N; Tox21_113919; AKOS005605649; NCGC00262923-01; CAS-3158-91-6
| 分子量 | 245.66 |
|---|---|
| XLogP3 | 3 |
| 氢键供体数 | 1 |
| 氢键受体数 | 2 |
| 可旋转键数 | 0 |
| 精确质量 | 245.0243562 |
| 单同位素质量 | 245.0243562 |
| 拓扑极性表面积 | 38.3 |
| 重原子数 | 17 |
| 形式电荷 | 0 |
2-氯二苯并[b,f][1,4]氧氮杂卓-11(10H)-酮 · CAS 3158-91-6 · C13H8ClNO2. UNII NS00029141.
Source: PubChem / Wikidata; the batch COA governs where values differ.
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