3',5',7-Tribromo-5-(hydroxymethyl)spiro[benzofuran-2(3H),1'-[2,5]cyclohexadien]-4'-one (CAS 52498-93-8) — formula C14H9Br3O3, molecular weight 464.93; category organic chemicals.
| CAS Number | 52498-93-8 |
|---|---|
| Molecular Formula | C14H9Br3O3 |
| Molecular Weight | 464.93 |
| LogP | 3.8 |
| Category | Organic Chemicals |
3',5',7-Tribromo-5-(hydroxymethyl)spiro[benzofuran-2(3H),1'-[2,5]cyclohexadien]-4'-one is a carbon-based organic compound with CAS registry number 52498-93-8 and molecular formula C14H9Br3O3 (molecular weight 464.93), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 52498-93-8
Its molecular formula C14H9Br3O3 comprises 14 C, 9 H, 3 Br, 3 O atoms.
Also known as: 3',5',7-Tribromo-5-(hydroxymethyl)spiro[benzofuran-2(3H),1'-[2,5]cyclohexadien]-4'-one · 3',5',7-三溴-5-(羟甲基)螺[苯并呋喃-2(3H),1'-[2,5]环己二烯]-4'-酮
Category: organic chemicals
The CAS registry number of 3',5',7-Tribromo-5-(hydroxymethyl)spiro[benzofuran-2(3H),1'-[2,5]cyclohexadien]-4'-one is 52498-93-8.
Molecular formula C14H9Br3O3, molecular weight 464.93.
It is also registered under: 3',5',7-Tribromo-5-(hydroxymethyl)spiro[benzofuran-2(3H),1'-[2,5]cyclohexadien]-4'-one, 3',5',7-三溴-5-(羟甲基)螺[苯并呋喃-2(3H),1'-[2,5]环己二烯]-4'-酮.
Category: Organic Chemicals.
Independent reference data for 3',5',7-Tribromo-5-(hydroxymethyl)spiro[benzofuran-2(3H),1'-[2,5]cyclohexadien]-4'-one (CAS 52498-93-8), compiled from public chemistry databases.
| CAS 号 | 52498-93-8 |
|---|---|
| PubChem CID | 635290 |
| 分子式 | C14H9Br3O3 |
| IUPAC 名称 | 2',6',7-tribromo-5-(hydroxymethyl)spiro[3H-1-benzofuran-2,4'-cyclohexa-2,5-diene]-1'-one |
| Molecular Weight | 464.93 |
|---|---|
| XLogP3 | 3.8 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 1 |
| Exact Mass | 463.80813 |
| Monoisotopic Mass | 461.81018 |
| Topological Polar Surface Area | 46.5 |
| Heavy Atom Count | 20 |
Thelepin; 52498-93-8; 2',6',7-tribromo-5-(hydroxymethyl)spiro[3H-1-benzofuran-2,4'-cyclohexa-2,5-diene]-1'-one; CHEBI:80926; DTXSID00348333; LNKWAVLAOSVMOE-UHFFFAOYSA-N; Spiro[benzofuran-2(3H),1'-[2,5]cyclohexadien]-4'-one, 3',5',7-tribromo-5-(hydroxymethyl)-; C17100; Q27151426; 3',5',7-Tribromo-5-(hydroxymethyl)-3H-spiro[[1]benzofuran-2,1'-cyclohexa[2,5]dien]-4'-one
3',5',7-三溴-5-(羟甲基)螺[苯并呋喃-2(3H),1'-[2,5]环己二烯]-4'-酮 · CAS 52498-93-8 · C14H9Br3O3.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.