2-[3-[5-chloro-3-ethyl-1,3-dihydro-1-(3-sulphonatopropyl)-6-(trifluoromethyl)-2H-benzimidazol-2-ylidene]prop-1-enyl]-3-ethylbenzoxazolium (CAS 83783-58-8) — formula C25H25ClF3N3O4S, molecular weight 556.0; category organic chemicals.
2-[3-[5-chloro-3-ethyl-1,3-dihydro-1-(3-sulphonatopropyl)-6-(trifluoromethyl)-2H-benzimidazol-2-ylidene]prop-1-enyl]-3-ethylbenzoxazolium is a carbon-based organic compound with CAS registry number 83783-58-8 and molecular formula C25H25ClF3N3O4S (molecular weight 556.0), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 83783-58-8
Its molecular formula C25H25ClF3N3O4S comprises 25 C, 25 H, 1 Cl, 3 F, 3 N, 4 O, 1 S atoms.
Also known as: 2-[3-[5-chloro-3-ethyl-1,3-dihydro-1-(3-sulphonatopropyl)-6-(trifluoromethyl)-2H-benzimidazol-2-ylidene]prop-1-enyl]-3-ethylbenzoxazolium · 2-[3-[5-氯-3-乙基-1,3-二氢-1-(3-磺酸基丙基)-6-(三氟甲基)-2H-苯并咪唑-2-亚基]丙-1-烯基]-3-乙基苯并恶唑鎓
Category: organic chemicals
The CAS registry number of 2-[3-[5-chloro-3-ethyl-1,3-dihydro-1-(3-sulphonatopropyl)-6-(trifluoromethyl)-2H-benzimidazol-2-ylidene]prop-1-enyl]-3-ethylbenzoxazolium is 83783-58-8.
Molecular formula C25H25ClF3N3O4S, molecular weight 556.0.
It is also registered under: 2-[3-[5-chloro-3-ethyl-1,3-dihydro-1-(3-sulphonatopropyl)-6-(trifluoromethyl)-2H-benzimidazol-2-ylidene]prop-1-enyl]-3-ethylbenzoxazolium, 2-[3-[5-氯-3-乙基-1,3-二氢-1-(3-磺酸基丙基)-6-(三氟甲基)-2H-苯并咪唑-2-亚基]丙-1-烯基]-3-乙基苯并恶唑鎓.
Category: Organic Chemicals.
Public-database records for 2-[3-[5-chloro-3-ethyl-1,3-dihydro-1-(3-sulphonatopropyl)-6-(trifluoromethyl)-2H-benzimidazol-2-ylidene]prop-1-enyl]-3-ethylbenzoxazolium (CAS 83783-58-8), reproduced here for independent cross-checking.
| CAS 号 | 83783-58-8 |
|---|---|
| PubChem CID | 44149881 |
| 分子式 | C25H25ClF3N3O4S |
| IUPAC 名称 | 3-[(2Z)-5-chloro-3-ethyl-2-[(Z)-3-(3-ethyl-1,3-benzoxazol-3-ium-2-yl)prop-2-enylidene]-6-(trifluoromethyl)benzimidazol-1-yl]propane-1-sulfonate |
| 分子量 | 556.0 |
|---|---|
| XLogP3 | 6 |
| 氢键供体数 | 0 |
| 氢键受体数 | 9 |
| 可旋转键数 | 7 |
| 精确质量 | 555.1206396 |
| 单同位素质量 | 555.1206396 |
| 拓扑极性表面积 | 89.1 |
| 重原子数 | 37 |
| 形式电荷 | 0 |
2-[3-[5-氯-3-乙基-1,3-二氢-1-(3-磺酸基丙基)-6-(三氟甲基)-2H-苯并咪唑-2-亚基]丙-1-烯基]-3-乙基苯并恶唑鎓 · CAS 83783-58-8 · C25H25ClF3N3O4S.
Source: PubChem / Wikidata; the batch COA governs where values differ.
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