Cas no 673487-31-5 (1H-Benzimidazole, 4-methyl-2-(trichloromethyl)-)
673487-31-5 structure
Product Name:1H-Benzimidazole, 4-methyl-2-(trichloromethyl)-
CAS No:673487-31-5
MF:C9H7Cl3N2
MW:249.524278879166
CID:394973
PubChem ID:11557865
Update Time:2025-04-19
1H-Benzimidazole, 4-methyl-2-(trichloromethyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Benzimidazole, 4-methyl-2-(trichloromethyl)-
- 4-methyl-2-(trichloromethyl)-1H-benzimidazole
- 4-methyl-2-trichloromethyl-1H-benzoimidazole
- SCHEMBL4352212
- DTXSID80468563
- CTBHTPQCCMGLKI-UHFFFAOYSA-N
- 673487-31-5
-
- Inchi： 1S/C9H7Cl3N2/c1-5-3-2-4-6-7(5)14-8(13-6)9(10,11)12/h2-4H,1H3,(H,13,14)
- InChI Key： CTBHTPQCCMGLKI-UHFFFAOYSA-N
- SMILES： ClC(C1=NC2C(C)=CC=CC=2N1)(Cl)Cl
Computed Properties
- Exact Mass: 247.96771
- Monoisotopic Mass: 247.967481g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 14
- Rotatable Bond Count: 0
- Complexity: 217
- 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: 3.5
- Topological Polar Surface Area: 28.7?2
Experimental Properties
- PSA: 28.68
1H-Benzimidazole, 4-methyl-2-(trichloromethyl)- Related Literature
-
Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
-
Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
-
Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
-
Nduka Ikpo,Jenna C. Flogeras,Francesca M. Kerton Dalton Trans., 2013,42, 8998-9006
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