Cas no 918884-78-3 (Isoxazole, 5-(2-fluoro-4-methylphenyl)-)
918884-78-3 structure
Product Name:Isoxazole, 5-(2-fluoro-4-methylphenyl)-
CAS No:918884-78-3
MF:C10H8FNO
MW:177.175025939941
CID:769210
PubChem ID:71426181
Update Time:2025-04-19
Isoxazole, 5-(2-fluoro-4-methylphenyl)- Chemical and Physical Properties
Names and Identifiers
-
- Isoxazole, 5-(2-fluoro-4-methylphenyl)-
- 5-(2-fluoro-4-methylphenyl)-1,2-oxazole
- 918884-78-3
- DTXSID60844942
- 5-(2-Fluoro-4-methylphenyl)isoxazole
-
- Inchi： 1S/C10H8FNO/c1-7-2-3-8(9(11)6-7)10-4-5-12-13-10/h2-6H,1H3
- InChI Key： XRCADEALVQNIGR-UHFFFAOYSA-N
- SMILES： FC1C=C(C)C=CC=1C1=CC=NO1
Computed Properties
- Exact Mass: 177.058992041g/mol
- Monoisotopic Mass: 177.058992041g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 176
- 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: 2.5
- Topological Polar Surface Area: 26?2
Isoxazole, 5-(2-fluoro-4-methylphenyl)- Related Literature
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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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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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
918884-78-3 (Isoxazole, 5-(2-fluoro-4-methylphenyl)-) Related Products
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- 138716-36-6(Isoxazole, 5-(2-fluorophenyl)- (9CI))
- 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)
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- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
- 941977-17-9(N'-(3-chloro-2-methylphenyl)-N-2-(dimethylamino)-2-(naphthalen-1-yl)ethylethanediamide)
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