3-(2-Chlorophenyl)-5-isoxazolemethanol - CAS 438565-33-4
Catalog: |
BB025485 |
Product Name: |
3-(2-Chlorophenyl)-5-isoxazolemethanol |
CAS: |
438565-33-4 |
Synonyms: |
[3-(2-chlorophenyl)-5-isoxazolyl]methanol; [3-(2-chlorophenyl)-1,2-oxazol-5-yl]methanol |
IUPAC Name: | [3-(2-chlorophenyl)-1,2-oxazol-5-yl]methanol |
Description: | 3-(2-Chlorophenyl)-5-isoxazolemethanol (CAS# 438565-33-4) is a useful research chemical. |
Molecular Weight: | 209.63 |
Molecular Formula: | C10H8ClNO2 |
Canonical SMILES: | C1=CC=C(C(=C1)C2=NOC(=C2)CO)Cl |
InChI: | InChI=1S/C10H8ClNO2/c11-9-4-2-1-3-8(9)10-5-7(6-13)14-12-10/h1-5,13H,6H2 |
InChI Key: | SSRHWYXRRHPGRM-UHFFFAOYSA-N |
Boiling Point: | 370.5 °C at 760 mmHg |
Density: | 1.339 g/cm3 |
MDL: | MFCD04124289 |
LogP: | 2.48730 |
Publication Number | Title | Priority Date |
EP-2375899-A1 | Piperidine-containing compounds and use thereof | 20090112 |
EP-2375899-B1 | Piperidine-containing compounds and use thereof in the treatment of diabetes | 20090112 |
JP-2012515162-A | Piperidine-containing compounds and uses thereof | 20090112 |
JP-5683489-B2 | Piperidine-containing compounds and uses thereof | 20090112 |
US-2011275608-A1 | Piperidine-containing compounds and use thereof | 20090112 |
Complexity: | 191 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 209.0243562 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 209.0243562 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 46.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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