Cas no 216970-36-4 (1H-Benzimidazole,6-ethynyl-)
1H-Benzimidazole,6-ethynyl- structure
Product Name:1H-Benzimidazole,6-ethynyl-
CAS No:216970-36-4
MF:C9H6N2
MW:142.157341480255
CID:243370
PubChem ID:17842497
Update Time:2025-04-19
1H-Benzimidazole,6-ethynyl- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Benzimidazole,6-ethynyl-
- 1H-Benzimidazole,5-ethynyl-(9CI)
- 5-ETHYNYL-1H-BENZIMIDAZOLE
- 5-Ethynyl-1H-benzo[d]imidazole
- 6-ethynyl-1H-benzimidazole
- 216970-36-4
- EN300-1785260
- SCHEMBL1401379
- WYWIKKGBVPHYFC-UHFFFAOYSA-N
- 5-ETHYNYL-1H-1,3-BENZODIAZOLE
-
- Inchi： 1S/C9H6N2/c1-2-7-3-4-8-9(5-7)11-6-10-8/h1,3-6H,(H,10,11)
- InChI Key： WYWIKKGBVPHYFC-UHFFFAOYSA-N
- SMILES： N1C=NC2C=CC(C#C)=CC1=2
Computed Properties
- Exact Mass: 142.05300
- Monoisotopic Mass: 142.053
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 0
- Complexity: 191
- 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: 1.6
- Topological Polar Surface Area: 28.7A^2
Experimental Properties
- PSA: 28.68000
- LogP: 1.54420
1H-Benzimidazole,6-ethynyl- Related Literature
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1. An all-solid-state imprinted polymer-based potentiometric sensor for determination of bisphenol S?Rongning Liang,Tanji Yin,Ruiqing Yao,Wei Qin RSC Adv., 2016,6, 73308-73312
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M. A. Piechowiak,A. Videcoq,R. Ferrando,D. Bochicchio,C. Pagnoux,F. Rossignol Phys. Chem. Chem. Phys., 2012,14, 1431-1439
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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Tanya Ostapenko,Peter J. Collings,Samuel N. Sprunt,J. T. Gleeson Soft Matter, 2013,9, 9487-9498
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