Cas no 497833-07-5 (1H-Pyrazole-4-carboxaldehyde, 1-phenyl-5-(trifluoromethyl)-)
497833-07-5 structure
Product Name:1H-Pyrazole-4-carboxaldehyde, 1-phenyl-5-(trifluoromethyl)-
CAS No:497833-07-5
MF:C11H7F3N2O
MW:240.181292772293
CID:1542835
PubChem ID:11085874
Update Time:2025-04-21
1H-Pyrazole-4-carboxaldehyde, 1-phenyl-5-(trifluoromethyl)- Chemical and Physical Properties
Names and Identifiers
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- 1H-Pyrazole-4-carboxaldehyde, 1-phenyl-5-(trifluoromethyl)-
- 1-Phenyl-5-(trifluoromethyl)-1H-pyrazole-4-carbaldehyde
- 497833-07-5
- 1-Phenyl-5-trifluoromethyl-1H-pyrazole-4-carbaldehyde
- SCHEMBL4039361
- AKOS022833734
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- Inchi： 1S/C11H7F3N2O/c12-11(13,14)10-8(7-17)6-15-16(10)9-4-2-1-3-5-9/h1-7H
- InChI Key： ZTWZGCCEKGPIIE-UHFFFAOYSA-N
- SMILES： FC(C1=C(C=O)C=NN1C1C=CC=CC=1)(F)F
Computed Properties
- Exact Mass: 240.05111
- Monoisotopic Mass: 240.05104734g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 17
- Rotatable Bond Count: 2
- Complexity: 276
- 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: 2.3
- Topological Polar Surface Area: 34.9?2
Experimental Properties
- PSA: 34.89
1H-Pyrazole-4-carboxaldehyde, 1-phenyl-5-(trifluoromethyl)- Related Literature
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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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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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
497833-07-5 (1H-Pyrazole-4-carboxaldehyde, 1-phenyl-5-(trifluoromethyl)-) Related Products
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