4-Fluoro-2-(5-isoxazolyl)phenol - CAS 288401-62-7
Catalog: |
BB019986 |
Product Name: |
4-Fluoro-2-(5-isoxazolyl)phenol |
CAS: |
288401-62-7 |
Synonyms: |
4-fluoro-2-(1,2-oxazol-5-yl)phenol |
IUPAC Name: | 4-fluoro-2-(1,2-oxazol-5-yl)phenol |
Description: | 4-Fluoro-2-(5-isoxazolyl)phenol (CAS# 288401-62-7) is a useful research chemical. |
Molecular Weight: | 179.15 |
Molecular Formula: | C9H6FNO2 |
Canonical SMILES: | C1=CC(=C(C=C1F)C2=CC=NO2)O |
InChI: | InChI=1S/C9H6FNO2/c10-6-1-2-8(12)7(5-6)9-3-4-11-13-9/h1-5,12H |
InChI Key: | GMKVPJVBXXTBJG-UHFFFAOYSA-N |
Boiling Point: | 245.6 °C at 760 mmHg |
Melting Point: | 188-192 °C (lit.) |
Purity: | 95 % |
Density: | 1.38 g/cm3 |
MDL: | MFCD03070563 |
LogP: | 2.18630 |
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 |
TW-200944506-A | Substituted pyrazole derivatives and use thereof | 20080326 |
US-2009270361-A1 | Substituted pyrazole derivatives and use thereof | 20080326 |
WO-2009119880-A1 | Substituted pyrazole derivatives and use thereof | 20080326 |
DE-60215028-T2 | INDOL DERIVATIVES AS BETA-3-ADRENERGE AGONISTS FOR THE TREATMENT OF TYPE 2 DIABETES | 20010814 |
EP-1421078-A1 | Beta-3 adrenergic agonists | 20010814 |
Complexity: | 179 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 179.03825660 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 179.03825660 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 46.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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