Cas no 88422-24-6 (1H-Benzimidazole-2-carbonitrile,6-methyl-)
88422-24-6 structure
Product Name:1H-Benzimidazole-2-carbonitrile,6-methyl-
CAS No:88422-24-6
MF:C9H7N3
MW:157.171981096268
CID:709477
Update Time:2024-01-31
1H-Benzimidazole-2-carbonitrile,6-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Benzimidazole-2-carbonitrile,6-methyl-
- 1H-Benzimidazole-2-carbonitrile,5-methyl-(9CI)
- 1H-Benzimidazole-2-carbonitrile, 6-methyl-
-
- Inchi： 1S/C9H7N3/c1-6-2-3-7-8(4-6)12-9(5-10)11-7/h2-4H,1H3,(H,11,12)
- InChI Key： CCQFOWCNZGRAES-UHFFFAOYSA-N
- SMILES： C1(C#N)NC2=CC(C)=CC=C2N=1
Computed Properties
- Exact Mass: 157.064
- Monoisotopic Mass: 157.064
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- 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: 1.5
- Topological Polar Surface Area: 52.5A^2
1H-Benzimidazole-2-carbonitrile,6-methyl- Related Literature
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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