1,3-Benzodioxan-2-carboxylic acid, 6-chloro-4-methyl-4-(2-thienyl)-, m ethyl ester, (E)- (CAS 86617-08-5) — formula C15H13ClO4S, molecular weight 324.8; category organic chemicals.
| CAS Number | 86617-08-5 |
|---|---|
| Molecular Formula | C15H13ClO4S |
| Molecular Weight | 324.8 |
| LogP | 3.6 |
| Category | Organic Chemicals |
1,3-Benzodioxan-2-carboxylic acid, 6-chloro-4-methyl-4-(2-thienyl)-, m ethyl ester, (E)- is a carbon-based organic compound with CAS registry number 86617-08-5 and molecular formula C15H13ClO4S (molecular weight 324.8), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 86617-08-5
Its molecular formula C15H13ClO4S comprises 15 C, 13 H, 1 Cl, 4 O, 1 S atoms.
Also known as: 1,3-Benzodioxan-2-carboxylic acid, 6-chloro-4-methyl-4-(2-thienyl)-, m ethyl ester, (E)- · 1,3-苯并二恶烷-2-甲酸，6-氯-4-甲基-4-(2-噻吩基)-甲酯，(E)-
Category: organic chemicals
The CAS registry number of 1,3-Benzodioxan-2-carboxylic acid, 6-chloro-4-methyl-4-(2-thienyl)-, m ethyl ester, (E)- is 86617-08-5.
Molecular formula C15H13ClO4S, molecular weight 324.8.
It is also registered under: 1,3-Benzodioxan-2-carboxylic acid, 6-chloro-4-methyl-4-(2-thienyl)-, m ethyl ester, (E)-, 1,3-苯并二恶烷-2-甲酸，6-氯-4-甲基-4-(2-噻吩基)-甲酯，(E)-.
Category: Organic Chemicals.
Independent reference data for 1,3-Benzodioxan-2-carboxylic acid, 6-chloro-4-methyl-4-(2-thienyl)-, m ethyl ester, (E)- (CAS 86617-08-5), compiled from public chemistry databases.
| CAS 号 | 86617-08-5 |
|---|---|
| PubChem CID | 3070552 |
| 分子式 | C15H13ClO4S |
| IUPAC 名称 | methyl (2S,4R)-6-chloro-4-methyl-4-thiophen-2-yl-1,3-benzodioxine-2-carboxylate |
| Molecular Weight | 324.8 |
|---|---|
| XLogP3 | 3.6 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 3 |
| Exact Mass | 324.0223078 |
| Monoisotopic Mass | 324.0223078 |
| Topological Polar Surface Area | 73 |
| Heavy Atom Count | 21 |
BRN 5099922; 1,3-Benzodioxan-2-carboxylic acid, 6-chloro-4-methyl-4-(2-thienyl)-, methyl ester, (E)-; 86617-08-5; 4H-1,3-Benzodioxin-2-carboxylic acid, 6-chloro-4-methyl-4-(2-thienyl)-, methyl ester, trans-; trans-6-Chloro-4-methyl-4-(2-thienyl)-1,3-benzodioxan-2-carboxylic acid methyl ester; DTXSID10235705; RefChem:217819; DTXCID00158196; Methyl (2S,4R)-6-chloro-4-methyl-4-(thiophen-2-yl)-2H,4H-1,3-benzodioxine-2-carboxylate
1,3-苯并二恶烷-2-甲酸，6-氯-4-甲基-4-(2-噻吩基)-甲酯，(E)- · CAS 86617-08-5 · C15H13ClO4S.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.