Cas no 220780-62-1 (5-Isoxazolecarboxaldehyde,3-(trifluoromethyl)-)
220780-62-1 structure
Product Name:5-Isoxazolecarboxaldehyde,3-(trifluoromethyl)-
CAS No:220780-62-1
MF:C5H2F3NO2
MW:165.070091724396
CID:244031
PubChem ID:14880837
Update Time:2025-04-19
5-Isoxazolecarboxaldehyde,3-(trifluoromethyl)- Chemical and Physical Properties
Names and Identifiers
-
- 5-Isoxazolecarboxaldehyde,3-(trifluoromethyl)-
- 5-Isoxazolecarboxaldehyde,3-(trifluoromethyl)-(9CI)
- 3-(trifluoromethyl)isoxazole-5-carbaldehyde
- AT33668
- 220780-62-1
- SCHEMBL1939721
-
- Inchi： 1S/C5H2F3NO2/c6-5(7,8)4-1-3(2-10)11-9-4/h1-2H
- InChI Key： KTACAADQPXWQNC-UHFFFAOYSA-N
- SMILES： FC(C1C=C(C=O)ON=1)(F)F
Computed Properties
- Exact Mass: 165.00376
- Monoisotopic Mass: 165.00376279g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 158
- 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: 1.1
- Topological Polar Surface Area: 43.1?2
Experimental Properties
- PSA: 43.1
5-Isoxazolecarboxaldehyde,3-(trifluoromethyl)- Related Literature
-
Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
-
Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
-
Cheng Fang,Jinjian Wu,Zahra Sobhani,Md. Al Amin,Youhong Tang Anal. Methods, 2019,11, 163-170
-
James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
220780-62-1 (5-Isoxazolecarboxaldehyde,3-(trifluoromethyl)-) Related Products
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
- 1270529-38-8(1,2,3,4,5,6-Hexahydro-[2,3]bipyridinyl-6-ol)
- 941977-17-9(N'-(3-chloro-2-methylphenyl)-N-2-(dimethylamino)-2-(naphthalen-1-yl)ethylethanediamide)
- 2138166-62-6(2,2-Difluoro-3-[methyl(2-methylbutyl)amino]propanoic acid)
- 89640-58-4(2-Iodo-4-nitrophenylhydrazine)
- 1449132-38-0(3-Fluoro-5-(2-fluoro-5-methylbenzylcarbamoyl)benzeneboronic acid)
- 2034271-14-0(2-(1H-indol-3-yl)-N-{[6-(thiophen-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl}acetamide)
Recommended suppliers
Beyond Pharmaceutical Co., Ltd
Gold Member
Audited Supplier
CN Supplier
Reagent
Suzhou Senfeida Chemical Co., Ltd
Gold Member
Audited Supplier
CN Supplier
Bulk
Shanghai Pearlk Chemicals Co., Ltd.
Gold Member
Audited Supplier
CN Supplier
Bulk
Hebei Liye chemical Co.,Ltd
Gold Member
Audited Supplier
CN Supplier
Bulk
Handan Zechi Trading Co., Ltd
Gold Member
Audited Supplier
CN Supplier
Bulk