3-(4-Fluorophenyl)-5-(hydroxymethyl)isoxazole - CAS 206055-89-2
Catalog: |
BB016098 |
Product Name: |
3-(4-Fluorophenyl)-5-(hydroxymethyl)isoxazole |
CAS: |
206055-89-2 |
Synonyms: |
[3-(4-fluorophenyl)-5-isoxazolyl]methanol; [3-(4-fluorophenyl)-1,2-oxazol-5-yl]methanol |
IUPAC Name: | [3-(4-fluorophenyl)-1,2-oxazol-5-yl]methanol |
Description: | 3-(4-Fluorophenyl)-5-(hydroxymethyl)isoxazole (CAS# 206055-89-2) is a useful research chemical. |
Molecular Weight: | 193.17 |
Molecular Formula: | C10H8FNO2 |
Canonical SMILES: | C1=CC(=CC=C1C2=NOC(=C2)CO)F |
InChI: | InChI=1S/C10H8FNO2/c11-8-3-1-7(2-4-8)10-5-9(6-13)14-12-10/h1-5,13H,6H2 |
InChI Key: | AXHZYGAOISWOLE-UHFFFAOYSA-N |
Boiling Point: | 358.46 °C at 760 mmHg |
Density: | 1.299 g/cm3 |
Appearance: | Solid |
MDL: | MFCD06738489 |
LogP: | 1.97300 |
Publication Number | Title | Priority Date |
JP-2012526071-A | Isoxazole-pyridine derivatives | 20090505 |
JP-5466292-B2 | Isoxazole-pyridine derivatives | 20090505 |
KR-20120018349-A | Isoxazole-pyridine derivative | 20090505 |
ES-2399192-T3 | Hydroxy-Methyl isoxazole derivatives as modulators of GABA A | 20090402 |
TW-201033201-A | Isoxazole-isoxazole and isoxazole-isothiazole derivatives | 20090219 |
Complexity: | 183 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 193.05390666 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 193.05390666 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 46.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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