4-Chloro-2-(5-isoxazolyl)phenol - CAS 86176-56-9
Catalog: |
BB037846 |
Product Name: |
4-Chloro-2-(5-isoxazolyl)phenol |
CAS: |
86176-56-9 |
Synonyms: |
4-chloro-2-(1,2-oxazol-5-yl)phenol |
IUPAC Name: | 4-chloro-2-(1,2-oxazol-5-yl)phenol |
Description: | 4-Chloro-2-(5-isoxazolyl)phenol (CAS# 86176-56-9) is a useful research chemical. |
Molecular Weight: | 195.60 |
Molecular Formula: | C9H6ClNO2 |
Canonical SMILES: | C1=CC(=C(C=C1Cl)C2=CC=NO2)O |
InChI: | InChI=1S/C9H6ClNO2/c10-6-1-2-8(12)7(5-6)9-3-4-11-13-9/h1-5,12H |
InChI Key: | AAJXJLYUWKMQNO-UHFFFAOYSA-N |
Boiling Point: | 353.989 °C at 760 mmHg |
Density: | 1.386 g/cm3 |
Appearance: | Off white powder |
MDL: | MFCD00218660 |
LogP: | 2.70060 |
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 |
CA-2830027-A1 | Novel bicyclic pyridinones | 20110331 |
CA-2830027-C | Novel bicyclic pyridinones | 20110331 |
EP-2691393-A1 | Novel bicyclic pyridinones | 20110331 |
EP-2691393-B1 | Novel bicyclic pyridinones | 20110331 |
US-2012252758-A1 | Novel Bicyclic Pyridinones | 20110331 |
PMID | Publication Date | Title | Journal |
19402093 | 20090608 | Metal-mediated [2+3] cycloaddition of nitrones to palladium-bound isonitriles | Chemistry (Weinheim an der Bergstrasse, Germany) |
18562055 | 20081201 | Osteoradionecrosis of the jaws: current understanding of its pathophysiology and treatment | The British journal of oral & maxillofacial surgery |
Complexity: | 179 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 195.0087061 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 195.0087061 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 46.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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