4-(Chloromethyl)-5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]isoxazole - CAS 1952348-17-2
Catalog: |
BB015113 |
Product Name: |
4-(Chloromethyl)-5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]isoxazole |
CAS: |
1952348-17-2 |
Synonyms: |
4-(chloromethyl)-5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]isoxazole; 4-(chloromethyl)-5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazole |
IUPAC Name: | 4-(chloromethyl)-5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazole |
Description: | 4-(Chloromethyl)-5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]isoxazole (CAS# 1952348-17-2 ) is a useful research chemical. |
Molecular Weight: | 317.69 |
Molecular Formula: | C14H11ClF3NO2 |
Canonical SMILES: | C1CC1C2=C(C(=NO2)C3=CC=CC=C3OC(F)(F)F)CCl |
InChI: | InChI=1S/C14H11ClF3NO2/c15-7-10-12(19-21-13(10)8-5-6-8)9-3-1-2-4-11(9)20-14(16,17)18/h1-4,8H,5-7H2 |
InChI Key: | RBPLFMZCNBNACJ-UHFFFAOYSA-N |
LogP: | 4.85640 |
Publication Number | Title | Priority Date |
CN-112891348-A | Use and pharmaceutical composition of phenyl isoxazolyl methylene-naphthalene-ether derivatives | 20191203 |
CN-112898289-A | Compounds for modulating FXR activity and uses thereof | 20191203 |
WO-2021108974-A1 | Compounds for modulating activity of fxr and uses thereof | 20191203 |
WO-2021109712-A1 | Compounds for modulating activity of fxr and uses thereof | 20191203 |
WO-2021109713-A1 | Use and pharmaceutical composition of phenylisoxazolyl methylene-naphthalene-ether derivatives | 20191203 |
Complexity: | 365 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 317.04304079999997 |
Formal Charge: | 0 |
Heavy Atom Count: | 21 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 317.04304079999997 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 35.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.2 |
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