Cas no 118469-27-5 (1H-Benzimidazole-2-carboxaldehyde,4-fluoro-1-methyl-)
118469-27-5 structure
Product Name:1H-Benzimidazole-2-carboxaldehyde,4-fluoro-1-methyl-
CAS No:118469-27-5
MF:C9H7FN2O
MW:178.163085222244
CID:132955
PubChem ID:45078129
Update Time:2025-04-19
1H-Benzimidazole-2-carboxaldehyde,4-fluoro-1-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Benzimidazole-2-carboxaldehyde,4-fluoro-1-methyl-
- 1H-Benzimidazole-2-carboxaldehyde,4-fluoro-1-methyl-(9CI)
- DTXSID701225808
- 118469-27-5
- SCHEMBL22894791
- 4-Fluoro-1-methyl-1H-benzo[d]imidazole-2-carbaldehyde
- AKOS013084007
- 4-Fluoro-1-methyl-1H-benzimidazole-2-carboxaldehyde
-
- Inchi： 1S/C9H7FN2O/c1-12-7-4-2-3-6(10)9(7)11-8(12)5-13/h2-5H,1H3
- InChI Key： CJNLZCAVUDMSPI-UHFFFAOYSA-N
- SMILES： FC1=CC=CC2=C1N=C(C=O)N2C
Computed Properties
- Exact Mass: 178.05431
- Monoisotopic Mass: 178.054
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 212
- 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: 34.9A^2
- XLogP3: 1.3
Experimental Properties
- PSA: 34.89
1H-Benzimidazole-2-carboxaldehyde,4-fluoro-1-methyl- Related Literature
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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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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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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