Cas no 159039-05-1 (1H-Benzimidazole-2-carbonitrile,6-acetyl-)
159039-05-1 structure
Product Name:1H-Benzimidazole-2-carbonitrile,6-acetyl-
CAS No:159039-05-1
MF:C10H7N3O
MW:185.182081460953
CID:109101
Update Time:2024-03-05
1H-Benzimidazole-2-carbonitrile,6-acetyl- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Benzimidazole-2-carbonitrile,6-acetyl-
- 1H-Benzimidazole-2-carbonitrile,5-acetyl-(9CI)
- 1H-Benzimidazole-2-carbonitrile, 6-acetyl-
-
- Inchi： 1S/C10H7N3O/c1-6(14)7-2-3-8-9(4-7)13-10(5-11)12-8/h2-4H,1H3,(H,12,13)
- InChI Key： WMNPQRWOILMUKA-UHFFFAOYSA-N
- SMILES： C1(C#N)NC2=CC(C(C)=O)=CC=C2N=1
Computed Properties
- Exact Mass: 185.05901
- Monoisotopic Mass: 185.059
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 1
- Complexity: 293
- 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
- Topological Polar Surface Area: 69.5A^2
Experimental Properties
- Density: 1.35±0.1 g/cm3(Predicted)
- Boiling Point: 416.0±37.0 °C(Predicted)
- PSA: 69.54
- pka: 8.43±0.10(Predicted)
1H-Benzimidazole-2-carbonitrile,6-acetyl- Related Literature
-
Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
-
A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
-
Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
-
Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
159039-05-1 (1H-Benzimidazole-2-carbonitrile,6-acetyl-) Related Products
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
- 1270529-38-8(1,2,3,4,5,6-Hexahydro-[2,3]bipyridinyl-6-ol)
- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
- 941977-17-9(N'-(3-chloro-2-methylphenyl)-N-2-(dimethylamino)-2-(naphthalen-1-yl)ethylethanediamide)
- 2138166-62-6(2,2-Difluoro-3-[methyl(2-methylbutyl)amino]propanoic acid)
- 89640-58-4(2-Iodo-4-nitrophenylhydrazine)
- 1449132-38-0(3-Fluoro-5-(2-fluoro-5-methylbenzylcarbamoyl)benzeneboronic acid)
- 2034271-14-0(2-(1H-indol-3-yl)-N-{[6-(thiophen-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl}acetamide)
Recommended suppliers
Tiancheng Chemical (Jiangsu) Co., Ltd
Gold Member
Audited Supplier
CN Supplier
Bulk
PRIBOLAB PTE.LTD
Gold Member
Audited Supplier
CN Supplier
Reagent
Shenzhen GeneSeqTools Bioscience & Technology Co. Ltd.
Gold Member
Audited Supplier
CN Supplier
Reagent
Jiangxi Boyang Pharmaceutical Chemical Co., Ltd
Gold Member
Audited Supplier
CN Supplier
Bulk
Hangzhou TSurgeX Pharmaceutical Technology Co., Ltd.
Gold Member
Audited Supplier
CN Supplier
Reagent
