Cas no 10597-50-9 (1H-Benzimidazol-5-amine,7-nitro-)
10597-50-9 structure
Product Name:1H-Benzimidazol-5-amine,7-nitro-
CAS No:10597-50-9
MF:C7H6N4O2
MW:178.14814043045
CID:118717
PubChem ID:45078612
Update Time:2024-03-05
1H-Benzimidazol-5-amine,7-nitro- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Benzimidazol-5-amine,7-nitro-
- Benzimidazole,6-amino-4-nitro- (6CI,8CI)
- 1H-Benzimidazol-5-amine,7-nitro-(9CI)
- 10597-50-9
- 7-Nitro-1H-benzimidazol-5-amine
- DTXSID601303770
-
- Inchi： 1S/C7H6N4O2/c8-4-1-5-7(10-3-9-5)6(2-4)11(12)13/h1-3H,8H2,(H,9,10)
- InChI Key： QMBNSEHVRPVFQY-UHFFFAOYSA-N
- SMILES： [O-][N+](C1=CC(=CC2=C1N=CN2)N)=O
Computed Properties
- Exact Mass: 178.04918
- Monoisotopic Mass: 178.049
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- 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
- Topological Polar Surface Area: 101A^2
- XLogP3: 0.6
Experimental Properties
- PSA: 97.84
1H-Benzimidazol-5-amine,7-nitro- Related Literature
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Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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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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Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
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Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
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