3-(4-Fluorophenyl)-5-methylisoxazole-4-carboxylic acid - CAS 1736-21-6
Catalog: |
BB012937 |
Product Name: |
3-(4-Fluorophenyl)-5-methylisoxazole-4-carboxylic acid |
CAS: |
1736-21-6 |
Synonyms: |
3-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxylic acid |
IUPAC Name: | 3-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxylic acid |
Description: | 3-(4-Fluorophenyl)-5-methylisoxazole-4-carboxylic acid (CAS# 1736-21-6) is a useful research chemical. |
Molecular Weight: | 221.18 |
Molecular Formula: | C11H8FNO3 |
Canonical SMILES: | CC1=C(C(=NO1)C2=CC=C(C=C2)F)C(=O)O |
InChI: | InChI=1S/C11H8FNO3/c1-6-9(11(14)15)10(13-16-6)7-2-4-8(12)5-3-7/h2-5H,1H3,(H,14,15) |
InChI Key: | PDEGBONVUJDOFN-UHFFFAOYSA-N |
Boiling Point: | 361.6 ℃ at 760 mmHg |
Density: | 1.35 g/cm3 |
Solubility: | Other solvents(Soluble) : Methanol |
MDL: | MFCD03407356 |
LogP: | 2.48730 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
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: | 266 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 221.04882128 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 221.04882128 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 63.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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