2-[3-(Trifluoromethyl)-β-oxophenethyl]benzoic acid (CAS 50439-12-8) — formula C16H11F3O3, molecular weight 308.25; category organic chemicals.
| CAS Number | 50439-12-8 |
|---|---|
| Molecular Formula | C16H11F3O3 |
| Molecular Weight | 308.25 |
| LogP | 3.6 |
| Category | Organic Chemicals |
2-[3-(Trifluoromethyl)-β-oxophenethyl]benzoic acid is a carbon-based organic compound with CAS registry number 50439-12-8 and molecular formula C16H11F3O3 (molecular weight 308.25), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 50439-12-8
Its molecular formula C16H11F3O3 comprises 16 C, 11 H, 3 F, 3 O atoms.
Also known as: 2-[3-(Trifluoromethyl)-β-oxophenethyl]benzoic acid · 2-[3-(三氟甲基)-β-氧代苯乙基]苯甲酸
Category: organic chemicals
The CAS registry number of 2-[3-(Trifluoromethyl)-β-oxophenethyl]benzoic acid is 50439-12-8.
Molecular formula C16H11F3O3, molecular weight 308.25.
It is also registered under: 2-[3-(Trifluoromethyl)-β-oxophenethyl]benzoic acid, 2-[3-(三氟甲基)-β-氧代苯乙基]苯甲酸.
Category: Organic Chemicals.
Independent reference data for 2-[3-(Trifluoromethyl)-β-oxophenethyl]benzoic acid (CAS 50439-12-8), compiled from public chemistry databases.
| CAS 号 | 50439-12-8 |
|---|---|
| PubChem CID | 3039335 |
| 分子式 | C16H11F3O3 |
| IUPAC 名称 | 2-[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl]benzoic acid |
| Molecular Weight | 308.25 |
|---|---|
| XLogP3 | 3.6 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 4 |
| Exact Mass | 308.06602869 |
| Monoisotopic Mass | 308.06602869 |
| Topological Polar Surface Area | 54.4 |
| Heavy Atom Count | 22 |
o-Toluic acid, alpha-(3-(trifluoromethyl)benzoyl)-; 50439-12-8; F 1291; BRN 2760201; alpha-(3-(Trifluoromethyl)benzoyl)-o-toluic acid; Benzoic acid, 2-(2-oxo-2-(3-(trifluoromethyl)phenyl)ethyl)-; Acide (trifluoro methyl-3' benzoyl) alpha-orthotoluique [French]; DTXSID00198476; Acide (trifluoro methyl-3' benzoyl) alpha-orthotoluique; RefChem:366571; DTXCID30120967; 2-{2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl}benzoic acid; DB-260567; 2-[3-(Trifluoromethyl)-beta-oxophenethyl ]benzoic acid
2-[3-(三氟甲基)-β-氧代苯乙基]苯甲酸 · CAS 50439-12-8 · C16H11F3O3.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 2-[3-(三氟甲基)-β-氧代苯乙基]苯甲酸