5-Hydroxy-3-[3-(trifluoromethyl)phenyl]isoxazole - CAS 1354930-06-5
Catalog: |
BB008190 |
Product Name: |
5-Hydroxy-3-[3-(trifluoromethyl)phenyl]isoxazole |
CAS: |
1354930-06-5 |
Synonyms: |
3-[3-(trifluoromethyl)phenyl]-2H-isoxazol-5-one; 3-[3-(trifluoromethyl)phenyl]-2H-1,2-oxazol-5-one |
IUPAC Name: | 3-[3-(trifluoromethyl)phenyl]-2H-1,2-oxazol-5-one |
Description: | 5-Hydroxy-3-[3-(trifluoromethyl)phenyl]isoxazole (CAS# 1354930-06-5 ) is a useful research chemical. |
Molecular Weight: | 229.16 |
Molecular Formula: | C10H6F3NO2 |
Canonical SMILES: | C1=CC(=CC(=C1)C(F)(F)F)C2=CC(=O)ON2 |
InChI: | InChI=1S/C10H6F3NO2/c11-10(12,13)7-3-1-2-6(4-7)8-5-9(15)16-14-8/h1-5,14H |
InChI Key: | RXBUFOFGDQLFMU-UHFFFAOYSA-N |
LogP: | 3.06600 |
Publication Number | Title | Priority Date |
US-2012065063-A1 | 3-Aryl-4-(2,6-dimethylbenzylidene)isoxazol-5(4H)-ones as Fungicides | 20100622 |
WO-2011161034-A1 | 3-aryl-4-(2,6-dimethylbenzylidene)-isoxazol-5(4h)-ones as fungicides | 20100622 |
Complexity: | 325 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 229.03506292 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 229.03506292 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 38.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.8 |
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