2-(Chloromethyl)-5-(trifluoromethyl)benzoxazole - CAS 131337-75-2
Catalog: |
BB007295 |
Product Name: |
2-(Chloromethyl)-5-(trifluoromethyl)benzoxazole |
CAS: |
131337-75-2 |
Synonyms: |
2-(chloromethyl)-5-(trifluoromethyl)-1,3-benzoxazole; 2-(chloromethyl)-5-(trifluoromethyl)-1,3-benzoxazole |
IUPAC Name: | 2-(chloromethyl)-5-(trifluoromethyl)-1,3-benzoxazole |
Description: | 2-(Chloromethyl)-5-(trifluoromethyl)benzoxazole (CAS# 131337-75-2) is a useful research chemical. |
Molecular Weight: | 235.59 |
Molecular Formula: | C9H5ClF3NO |
Canonical SMILES: | C1=CC2=C(C=C1C(F)(F)F)N=C(O2)CCl |
InChI: | InChI=1S/C9H5ClF3NO/c10-4-8-14-6-3-5(9(11,12)13)1-2-7(6)15-8/h1-3H,4H2 |
InChI Key: | PSLXDVMPZACQOM-UHFFFAOYSA-N |
LogP: | 3.58540 |
Publication Number | Title | Priority Date |
WO-2020116971-A1 | Compounds having pde9a inhibitory activity, and pharmaceutical uses thereof | 20181206 |
KR-20200068994-A | Compound for inhibiting PDE9A and medical uses thereof | 20181206 |
EP-3892623-A1 | Compounds having pde9a inhibitory activity, and pharmaceutical uses thereof | 20181206 |
AU-2015264336-A1 | Anthelmintic compounds | 20140519 |
AU-2015264336-B2 | Anthelmintic compounds | 20140519 |
Complexity: | 236 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 235.001176 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 235.001176 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 26 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.1 |
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