Cas no 88422-27-9 (1H-Benzimidazole-2-carbonitrile,6-nitro-)
88422-27-9 structure
Product Name:1H-Benzimidazole-2-carbonitrile,6-nitro-
CAS No:88422-27-9
MF:C8H4N4O2
MW:188.142960548401
CID:709478
PubChem ID:21722891
Update Time:2025-04-19
1H-Benzimidazole-2-carbonitrile,6-nitro- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Benzimidazole-2-carbonitrile,6-nitro-
- 1H-Benzimidazole-2-carbonitrile,5-nitro-(9CI)
- 2-cyano-5-nitrobenzimidazole
- InChI=1/C8H4N4O2/c9-4-8-10-6-2-1-5(12(13)14)3-7(6)11-8/h1-3H,(H,10,11
- FZZVZNCDRQOKGF-UHFFFAOYSA-N
- 88422-27-9
- SCHEMBL7426290
- 6-nitro-1H-benzimidazole-2-carbonitrile
- 5-nitro-1H-benzo[d]imidazole-2-carbonitrile
- 5,6-nitrobenzimidazole-2-carbonitrile
- 5-nitrobenzimidazole-2-carbonitrile
-
- Inchi： 1S/C8H4N4O2/c9-4-8-10-6-2-1-5(12(13)14)3-7(6)11-8/h1-3H,(H,10,11)
- InChI Key： FZZVZNCDRQOKGF-UHFFFAOYSA-N
- SMILES： [O-][N+](C1C=CC2=C(C=1)NC(C#N)=N2)=O
Computed Properties
- Exact Mass: 188.033
- Monoisotopic Mass: 188.033
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 14
- Rotatable Bond Count: 0
- Complexity: 292
- 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: 98.3A^2
- XLogP3: 1.4
1H-Benzimidazole-2-carbonitrile,6-nitro- Related Literature
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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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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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