Ethyl 3-(4-Fluorophenyl)-5-methylisoxazole-4-carboxylate - CAS 954230-39-8
Catalog: |
BB041711 |
Product Name: |
Ethyl 3-(4-Fluorophenyl)-5-methylisoxazole-4-carboxylate |
CAS: |
954230-39-8 |
Synonyms: |
3-(4-fluorophenyl)-5-methyl-4-isoxazolecarboxylic acid ethyl ester; ethyl 3-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxylate |
IUPAC Name: | ethyl 3-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxylate |
Description: | Ethyl 3-(4-Fluorophenyl)-5-methylisoxazole-4-carboxylate (CAS# 954230-39-8) is a useful research chemical. |
Molecular Weight: | 249.24 |
Molecular Formula: | C13H12FNO3 |
Canonical SMILES: | CCOC(=O)C1=C(ON=C1C2=CC=C(C=C2)F)C |
InChI: | InChI=1S/C13H12FNO3/c1-3-17-13(16)11-8(2)18-15-12(11)9-4-6-10(14)7-5-9/h4-7H,3H2,1-2H3 |
InChI Key: | QQZTUBJEZZHCKF-UHFFFAOYSA-N |
Boiling Point: | 370.5 °C at 760 mmHg |
Density: | 1.212 g/cm3 |
MDL: | MFCD09756447 |
LogP: | 2.96580 |
Publication Number | Title | Priority Date |
WO-2014181287-A1 | Heterocyclyl compounds and uses thereof | 20130509 |
EP-2792360-A1 | (1aR,12bS)-8-cyclohexyl-11-fluoro-N-((1-methylcyclopropyl)sulfonyl)-1a-((3-methyl-3,8-diazabicyclo[3.2.1]oct-8-yl)carbonyl)-1,1a,2,2b-tetrahydrocyclopropa[d]indolo[2,1-a][2]benzazepine-5-carboxamide for use in treating HCV | 20130418 |
AU-2012318294-A1 | Solid forms of 1,1-dioxo-4-thiomorpholinyl)-[6[[3(4-fluorophenyl)-5-methyl-4-isoxazolyl]methoxy]-3-pyridinyl]-methanone | 20111020 |
AU-2012318294-B2 | Solid forms of 1,1-dioxo-4-thiomorpholinyl)-[6[[3(4-fluorophenyl)-5-methyl-4-isoxazolyl]methoxy]-3-pyridinyl]-methanone | 20111020 |
AU-2012321095-A1 | Process for the preparation of isoxazolyl-methoxy-nicotinic acids | 20111020 |
Complexity: | 292 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 249.08012141 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 249.08012141 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 52.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.8 |
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Carbonyl Compounds
Customers Also Viewed
INDUSTRY LEADERS TRUST OUR PRODUCTS