Cas no 16405-80-4 (6-Fluoro-2-(propan-2-yl)-1H-1,3-benzodiazole)
16405-80-4 structure
Product Name:6-Fluoro-2-(propan-2-yl)-1H-1,3-benzodiazole
CAS No:16405-80-4
MF:C10H11FN2
MW:178.206145524979
CID:121644
PubChem ID:45078577
Update Time:2025-04-18
6-Fluoro-2-(propan-2-yl)-1H-1,3-benzodiazole Chemical and Physical Properties
Names and Identifiers
-
- 1H-Benzimidazole,6-fluoro-2-(1-methylethyl)-
- Benzimidazole,5-fluoro-2-isopropyl-(8CI)
- 5-Fluoro-2-isopropyl-1H-benzimidazole
- SCHEMBL14267003
- 6-fluoro-2-propan-2-yl-1H-benzimidazole
- AKOS023170211
- 16405-80-4
- 6-fluoro-2-(propan-2-yl)-1H-1,3-benzodiazole
- SCHEMBL4111095
- 6-Fluoro-2-(propan-2-yl)-1H-1,3-benzodiazole
-
- Inchi： 1S/C10H11FN2/c1-6(2)10-12-8-4-3-7(11)5-9(8)13-10/h3-6H,1-2H3,(H,12,13)
- InChI Key： WBCAKMPRHHMJJD-UHFFFAOYSA-N
- SMILES： FC1C=CC2=C(C=1)NC(C(C)C)=N2
Computed Properties
- Exact Mass: 177.0829
- Monoisotopic Mass: 178.091
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 184
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.2
- Topological Polar Surface Area: 28.7A^2
Experimental Properties
- PSA: 25.78
6-Fluoro-2-(propan-2-yl)-1H-1,3-benzodiazole Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | F278681-100mg |
6-Fluoro-2-(propan-2-yl)-1H-1,3-benzodiazole |
16405-80-4 | 100mg |
$ 70.00 | 2022-06-05 | ||
| TRC | F278681-500mg |
6-Fluoro-2-(propan-2-yl)-1H-1,3-benzodiazole |
16405-80-4 | 500mg |
$ 250.00 | 2022-06-05 | ||
| TRC | F278681-1g |
6-Fluoro-2-(propan-2-yl)-1H-1,3-benzodiazole |
16405-80-4 | 1g |
$ 365.00 | 2022-06-05 |
6-Fluoro-2-(propan-2-yl)-1H-1,3-benzodiazole Related Literature
-
Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
-
Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
-
Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
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