Cas no 2686-72-8 (4,6,7-Trifluoro-1H-benzo[d]imidazole)
![4,6,7-Trifluoro-1H-benzo[d]imidazole structure](https://ossimg.kuujia.com/scimg/3000/2686-72-8x500.png)
2686-72-8 structure
Product Name:4,6,7-Trifluoro-1H-benzo[d]imidazole
CAS No:2686-72-8
MF:C7H3F3N2
MW:172.107331514359
CID:290449
PubChem ID:235495
Update Time:2025-04-19
4,6,7-Trifluoro-1H-benzo[d]imidazole Chemical and Physical Properties
Names and Identifiers
-
- 4,6,7-Trifluoro-1H-benzo[d]imidazole
- 4,5,7-trifluoro-3H-benzoimidazole
- 4,6,7-trifluoro-1H-benzimidazole
- NSC-36917
- Benzimidazole, 4,5,7-trifluoro-
- 2686-72-8
- NSC36917
- DTXSID40284362
-
- Inchi： 1S/C7H3F3N2/c8-3-1-4(9)6-7(5(3)10)12-2-11-6/h1-2H,(H,11,12)
- InChI Key： LKGYJXCGRGDDIA-UHFFFAOYSA-N
- SMILES： FC1=C(C=C(C2=C1NC=N2)F)F
Computed Properties
- Exact Mass: 171.01706
- Monoisotopic Mass: 172.02483259g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 12
- Rotatable Bond Count: 0
- Complexity: 178
- 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: 1.8
- Topological Polar Surface Area: 28.7?2
Experimental Properties
- PSA: 25.78
4,6,7-Trifluoro-1H-benzo[d]imidazole Related Literature
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
-
Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
-
Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
-
Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
2686-72-8 (4,6,7-Trifluoro-1H-benzo[d]imidazole) Related Products
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