Cas no 89843-47-0 (1H-Benzimidazole, 6-nitro-)
1H-Benzimidazole, 6-nitro- structure
Product Name:1H-Benzimidazole, 6-nitro-
CAS No:89843-47-0
MF:C7H5N3O2
MW:163.133500814438
CID:587339
Update Time:2024-01-30
1H-Benzimidazole, 6-nitro- Chemical and Physical Properties
Names and Identifiers
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- 1H-Benzimidazole, 6-nitro-
- Benzoimidazole-6-nitro
- 1H-Benzimidazole,6-nitro-(9CI)
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- Inchi： 1S/C7H5N3O2/c11-10(12)5-1-2-6-7(3-5)9-4-8-6/h1-4H,(H,8,9)
- InChI Key： XPAZGLFMMUODDK-UHFFFAOYSA-N
- SMILES： C1NC2=CC([N+]([O-])=O)=CC=C2N=1
Computed Properties
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 0
- Complexity: 192
- 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
- Surface Charge: 0
- Tautomer Count: 2
- XLogP3: nothing
1H-Benzimidazole, 6-nitro- Related Literature
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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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Xingqun Zheng,Lele Song,Xin Feng,Li Li,Zidong Wei J. Mater. Chem. A, 2020,8, 14145-14151
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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