Cas no 98185-13-8 (5-Nitro-2H-benzimidazol-2-one)
5-Nitro-2H-benzimidazol-2-one structure
Product Name:5-Nitro-2H-benzimidazol-2-one
CAS No:98185-13-8
MF:C7H3N3O3
MW:177.117020845413
CID:2820616
PubChem ID:22754947
Update Time:2025-04-21
5-Nitro-2H-benzimidazol-2-one Chemical and Physical Properties
Names and Identifiers
-
- 5-nitrobenzimidazolone
- 98185-13-8
- 5-Nitro-2H-benzo[d]imidazol-2-one
- SCHEMBL2393334
- CLHXKSVLPCOPHR-UHFFFAOYSA-N
- 5-Nitro-2H-benzimidazol-2-one
- AKOS006308864
- DTXSID40628121
- DTXCID40578874
-
- Inchi： 1S/C7H3N3O3/c11-7-8-5-2-1-4(10(12)13)3-6(5)9-7/h1-3H
- InChI Key： CLHXKSVLPCOPHR-UHFFFAOYSA-N
- SMILES： O=C1N=C2C=CC(=CC2=N1)[N+](=O)[O-]
Computed Properties
- Exact Mass: 177.01744097Da
- Monoisotopic Mass: 177.01744097Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 0
- Complexity: 423
- 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: -0.1
- Topological Polar Surface Area: 87.6?2
5-Nitro-2H-benzimidazol-2-one Related Literature
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
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3. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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