2-Chloro-5-phenyloxazole - CAS 62124-43-0
Catalog: |
BB031424 |
Product Name: |
2-Chloro-5-phenyloxazole |
CAS: |
62124-43-0 |
Synonyms: |
2-chloro-5-phenyloxazole; 2-chloro-5-phenyl-1,3-oxazole |
IUPAC Name: | 2-chloro-5-phenyl-1,3-oxazole |
Description: | 2-Chloro-5-phenyloxazole (CAS# 62124-43-0) is a useful research chemical. |
Molecular Weight: | 179.60 |
Molecular Formula: | C9H6ClNO |
Canonical SMILES: | C1=CC=C(C=C1)C2=CN=C(O2)Cl |
InChI: | InChI=1S/C9H6ClNO/c10-9-11-6-8(12-9)7-4-2-1-3-5-7/h1-6H |
InChI Key: | RQAIEHDXUZPMBJ-UHFFFAOYSA-N |
Boiling Point: | 310.927 °C at 760 mmHg |
Density: | 1.259 g/cm3 |
MDL: | MFCD00763284 |
LogP: | 2.99500 |
Publication Number | Title | Priority Date |
WO-2018106643-A1 | Heterocyclic azoles for the treatment of demyelinating diseases | 20161206 |
AU-2017336523-A1 | Calpain modulators and therapeutic uses thereof | 20160928 |
EP-3523294-A1 | Calpain modulators and therapeutic uses thereof | 20160928 |
JP-2020500207-A | Calpain modulators and their therapeutic use | 20160928 |
KR-20190063473-A | Carpain Adjuster and Its Therapeutic Uses | 20160928 |
Complexity: | 148 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 179.0137915 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 179.0137915 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 26 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3 |
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