3-Benzofurancarboxylic acid, 6-bromo-5-(carboxymethoxy)-2-((phenylthio )methyl)-, 3-ethyl ester (CAS 82039-79-0) — formula C20H17BrO6S, molecular weight 465.3; category organic chemicals.
| CAS Number | 82039-79-0 |
|---|---|
| Molecular Formula | C20H17BrO6S |
| Molecular Weight | 465.3 |
| LogP | 4.8 |
| Category | Organic Chemicals |
3-Benzofurancarboxylic acid, 6-bromo-5-(carboxymethoxy)-2-((phenylthio )methyl)-, 3-ethyl ester is a carbon-based organic compound with CAS registry number 82039-79-0 and molecular formula C20H17BrO6S (molecular weight 465.3), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 82039-79-0
Its molecular formula C20H17BrO6S comprises 20 C, 17 H, 1 Br, 6 O, 1 S atoms.
Also known as: 3-Benzofurancarboxylic acid, 6-bromo-5-(carboxymethoxy)-2-((phenylthio )methyl)-, 3-ethyl ester · 3-苯并呋喃甲酸，6-溴-5-(羧甲氧基)-2-((苯硫基)甲基)-, 3-乙酯
Category: organic chemicals
The CAS registry number of 3-Benzofurancarboxylic acid, 6-bromo-5-(carboxymethoxy)-2-((phenylthio )methyl)-, 3-ethyl ester is 82039-79-0.
Molecular formula C20H17BrO6S, molecular weight 465.3.
It is also registered under: 3-Benzofurancarboxylic acid, 6-bromo-5-(carboxymethoxy)-2-((phenylthio )methyl)-, 3-ethyl ester, 3-苯并呋喃甲酸，6-溴-5-(羧甲氧基)-2-((苯硫基)甲基)-, 3-乙酯.
Category: Organic Chemicals.
Independent reference data for 3-Benzofurancarboxylic acid, 6-bromo-5-(carboxymethoxy)-2-((phenylthio )methyl)-, 3-ethyl ester (CAS 82039-79-0), compiled from public chemistry databases.
| CAS 号 | 82039-79-0 |
|---|---|
| PubChem CID | 3067813 |
| 分子式 | C20H17BrO6S |
| IUPAC 名称 | 2-[[6-bromo-3-ethoxycarbonyl-2-(phenylsulfanylmethyl)-1-benzofuran-5-yl]oxy]acetic acid |
| Molecular Weight | 465.3 |
|---|---|
| XLogP3 | 4.8 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 9 |
| Exact Mass | 463.99292 |
| Monoisotopic Mass | 463.99292 |
| Topological Polar Surface Area | 111 |
| Heavy Atom Count | 28 |
3-Benzofurancarboxylic acid, 6-bromo-5-(hydroperoxyacetyl)-2-((phenylthio)methyl)-, ethyl ester; 82039-79-0; 5-(2-Phenylthiomethyl-3-carbethoxy-6-bromobenzofuryl)oxyacetic acid; 3-Benzofurancarboxylic acid, 6-bromo-5-(carboxymethoxy)-2-((phenylthio)methyl)-, 3-ethyl ester; 6-Bromo-5-(hydroperoxyacetyl)-2-((phenylthio)methyl)-3-benzofurancarboxylic acid ethyl ester; DTXSID30231547; RefChem:276902; DTXCID60154038; ({6-Bromo-3-(ethoxycarbonyl)-2-[(phenylsulfanyl)methyl]-1-benzofuran-5-yl}oxy)acetic acid
3-苯并呋喃甲酸，6-溴-5-(羧甲氧基)-2-((苯硫基)甲基)-, 3-乙酯 · CAS 82039-79-0 · C20H17BrO6S.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.