5-bromoisoquinolin-1(2H)-one (CAS 190777-77-6) — formula C9H6BrNO, molecular weight 224.05; category organic chemicals.
5-bromoisoquinolin-1(2H)-one is a carbon-based organic compound with CAS registry number 190777-77-6 and molecular formula C9H6BrNO (molecular weight 224.05), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 190777-77-6
Its molecular formula C9H6BrNO comprises 9 C, 6 H, 1 Br, 1 N, 1 O atoms.
Also known as: 5-bromoisoquinolin-1(2H)-one · 5-Bromo-1(2H)-isoquinolinone
Category: organic chemicals
The CAS registry number of 5-bromoisoquinolin-1(2H)-one is 190777-77-6.
Molecular formula C9H6BrNO, molecular weight 224.05.
It is also registered under: 5-bromoisoquinolin-1(2H)-one, 5-Bromo-1(2H)-isoquinolinone.
Category: Organic Chemicals.
Public-database records for 5-bromoisoquinolin-1(2H)-one (CAS 190777-77-6), reproduced here for independent cross-checking.
| Reported hazard statements | H315 (100%), H319 (100%), H335 (100%) |
|---|
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
| CAS Registry Number | 190777-77-6 |
|---|---|
| PubChem CID | 10466183 |
| 分子式 | C9H6BrNO |
| IUPAC 名称 | 5-bromo-2H-isoquinolin-1-one |
5-bromo-1,2-dihydroisoquinolin-1-one; RefChem:532675; 822-138-8; 5-bromoisoquinolin-1(2H)-one; 190777-77-6; 5-bromoisoquinolin-1-ol; 5-bromo-2H-isoquinolin-1-one; 1(2H)-Isoquinolinone, 5-bromo-; MFCD11226915; CHEMBL1173518; CL1042; AT34117; DS-2395; SY042308; EN300-141483; Z1269168088
| 分子量 | 224.05 |
|---|---|
| XLogP3 | 2 |
| 氢键供体数 | 1 |
| 氢键受体数 | 1 |
| 可旋转键数 | 0 |
| 精确质量 | 222.96328 |
| 单同位素质量 | 222.96328 |
| 拓扑极性表面积 | 29.1 |
| 重原子数 | 12 |
| 形式电荷 | 0 |
5-bromoisoquinolin-1(2H)-one · CAS 190777-77-6 · C9H6BrNO.
Source: PubChem / Wikidata; the batch COA governs where values differ.
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