Cas no 101236-92-4 (1H-Benzimidazole,2-ethyl-7-nitro-)
101236-92-4 structure
Product Name:1H-Benzimidazole,2-ethyl-7-nitro-
CAS No:101236-92-4
MF:C9H9N3O2
MW:191.186661481857
CID:124536
PubChem ID:45078176
Update Time:2025-04-18
1H-Benzimidazole,2-ethyl-7-nitro- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Benzimidazole,2-ethyl-7-nitro-
- 1H-Benzimidazole,2-ethyl-4-nitro- (9CI)
- 2-ethyl-4-nitro-1H-benzimidazole
- 101236-92-4
- 2-ethyl-4-nitro-1H-benzo[d]imidazole
- SCHEMBL8598342
-
- Inchi： 1S/C9H9N3O2/c1-2-8-10-6-4-3-5-7(12(13)14)9(6)11-8/h3-5H,2H2,1H3,(H,10,11)
- InChI Key： RBMSXLGNJDFTIO-UHFFFAOYSA-N
- SMILES： [O-][N+](C1=CC=CC2=C1N=C(CC)N2)=O
Computed Properties
- Exact Mass: 191.06957
- Monoisotopic Mass: 191.069
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 1
- Complexity: 229
- 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: 74.5A^2
- XLogP3: 2.1
Experimental Properties
- PSA: 71.82
1H-Benzimidazole,2-ethyl-7-nitro- Related Literature
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Amit Kumar Majhi,Subbarao Kanchi,V. Venkataraman,K. G. Ayappa,Prabal K. Maiti Soft Matter, 2015,11, 8632-8640
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
-
Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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