Cas no 118469-25-3 (1H-Benzimidazole-2-carboxaldehyde,5,6-difluoro-1-methyl-)
118469-25-3 structure
Product Name:1H-Benzimidazole-2-carboxaldehyde,5,6-difluoro-1-methyl-
CAS No:118469-25-3
MF:C9H6F2N2O
MW:196.153548717499
CID:132954
PubChem ID:21286299
Update Time:2025-04-19
1H-Benzimidazole-2-carboxaldehyde,5,6-difluoro-1-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Benzimidazole-2-carboxaldehyde,5,6-difluoro-1-methyl-
- 1H-Benzimidazole-2-carboxaldehyde,5,6-difluoro-1-methyl-(9CI)
- 5,6-Difluoro-1-methylbenzimidazole-2-carbaldehyde
- AKOS015954738
- 118469-25-3
- SCHEMBL6870350
-
- Inchi： 1S/C9H6F2N2O/c1-13-8-3-6(11)5(10)2-7(8)12-9(13)4-14/h2-4H,1H3
- InChI Key： WXUABYQABLFAEC-UHFFFAOYSA-N
- SMILES： FC1C(=CC2=C(C=1)N(C)C(C=O)=N2)F
Computed Properties
- Exact Mass: 196.04488
- Monoisotopic Mass: 196.045
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 14
- Rotatable Bond Count: 1
- Complexity: 239
- 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: 2.1
- Topological Polar Surface Area: 34.9A^2
Experimental Properties
- PSA: 34.89
- LogP: 1.66400
1H-Benzimidazole-2-carboxaldehyde,5,6-difluoro-1-methyl- Related Literature
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Fuming Xiao,Mengzhu Wang,Yunxiang Lei,Wenbo Dai,Yunbing Zhou,Miaochang Liu,Wenxia Gao,Xiaobo Huang,Huayue Wu J. Mater. Chem. C, 2020,8, 17410-17416
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Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
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M. T. Colomer,S. Díaz-Moreno,A. Tamayo,A. L. Ortiz J. Mater. Chem. C, 2018,6, 12643-12651
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David B. Cordes,Alexandra M. Z. Slawin,Stefania Righetto,Denis Jacquemin,Eli Zysman-Colman,Véronique Guerchais Dalton Trans., 2018,47, 8292-8300
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J. M. Granadino-Roldán,M. Fernández-Gómez,A. Navarro,T. Pe?a Ruiz,U. A. Jayasooriya Phys. Chem. Chem. Phys., 2004,6, 1133-1143
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