Cas no 92303-12-3 (1H-Benzimidazole, 2-methyl-4,6-dinitro-)
92303-12-3 structure
Product Name:1H-Benzimidazole, 2-methyl-4,6-dinitro-
CAS No:92303-12-3
MF:C8H6N4O4
MW:222.15764093399
CID:753500
PubChem ID:11127857
Update Time:2025-04-19
1H-Benzimidazole, 2-methyl-4,6-dinitro- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Benzimidazole, 2-methyl-4,6-dinitro-
- 2-methyl-4,6-dinitro-1H-benzimidazole
- 92303-12-3
- DTXSID90456219
-
- Inchi: 1S/C8H6N4O4/c1-4-9-6-2-5(11(13)14)3-7(12(15)16)8(6)10-4/h2-3H,1H3,(H,9,10)
- InChI Key: GQIQKYVQFNHIQN-UHFFFAOYSA-N
- SMILES: [O-][N+](C1=CC(=CC2=C1N=C(C)N2)[N+](=O)[O-])=O
Computed Properties
- Exact Mass: 222.03890469g/mol
- Monoisotopic Mass: 222.03890469g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 16
- Rotatable Bond Count: 0
- Complexity: 312
- 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: 120?2
1H-Benzimidazole, 2-methyl-4,6-dinitro- Related Literature
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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