Cas no 856706-18-8 (1H-BENZIMIDAZOLE, 2-CHLORO-4,6-DIMETHYL-)
856706-18-8 structure
Product Name:1H-BENZIMIDAZOLE, 2-CHLORO-4,6-DIMETHYL-
CAS No:856706-18-8
MF:C9H9ClN2
MW:180.634160757065
CID:3216418
PubChem ID:59694991
Update Time:2025-04-21
1H-BENZIMIDAZOLE, 2-CHLORO-4,6-DIMETHYL- Chemical and Physical Properties
Names and Identifiers
-
- 1H-BENZIMIDAZOLE, 2-CHLORO-4,6-DIMETHYL-
- 2-Chloro-4,6-dimethyl-1H-benzo[d]imidazole
- SCHEMBL4283192
- 856706-18-8
-
- Inchi： 1S/C9H9ClN2/c1-5-3-6(2)8-7(4-5)11-9(10)12-8/h3-4H,1-2H3,(H,11,12)
- InChI Key： QYWIIIDTQUCWAF-UHFFFAOYSA-N
- SMILES： ClC1=NC2C(C)=CC(C)=CC=2N1
Computed Properties
- Exact Mass: 180.0454260Da
- Monoisotopic Mass: 180.0454260Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 12
- Rotatable Bond Count: 0
- Complexity: 174
- 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: 28.7?2
1H-BENZIMIDAZOLE, 2-CHLORO-4,6-DIMETHYL- Related Literature
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
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Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
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Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
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Andre Prates Pereira,Tao Dong,Eric P. Knoshaug,Nick Nagle,Ryan Spiller,Bonnie Panczak,Christopher J. Chuck,Philip T. Pienkos Sustainable Energy Fuels, 2020,4, 3400-3408
856706-18-8 (1H-BENZIMIDAZOLE, 2-CHLORO-4,6-DIMETHYL-) Related Products
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