5,7-Dichloro-2-(chloromethyl)benzoxazole - CAS 50710-33-3
Catalog: |
BB027187 |
Product Name: |
5,7-Dichloro-2-(chloromethyl)benzoxazole |
CAS: |
50710-33-3 |
Synonyms: |
5,7-dichloro-2-(chloromethyl)-1,3-benzoxazole; 5,7-dichloro-2-(chloromethyl)-1,3-benzoxazole |
IUPAC Name: | 5,7-dichloro-2-(chloromethyl)-1,3-benzoxazole |
Description: | 5,7-Dichloro-2-(chloromethyl)benzoxazole (CAS# 50710-33-3) is a useful research chemical compound. |
Molecular Weight: | 236.48 |
Molecular Formula: | C8H4Cl3NO |
Canonical SMILES: | C1=C(C=C2C(=C1Cl)OC(=N2)CCl)Cl |
InChI: | InChI=1S/C8H4Cl3NO/c9-3-7-12-6-2-4(10)1-5(11)8(6)13-7/h1-2H,3H2 |
InChI Key: | HPIYIWDZQKHAHF-UHFFFAOYSA-N |
LogP: | 3.87340 |
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 |
CA-1293726-C | Chloromethyl heterocyclics | 19851107 |
CA-1299178-C | Heterocyclic oxophtalazinyl acetic acids | 19851107 |
Complexity: | 192 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 234.935847 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 234.935847 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 26 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.4 |
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Benzoxazole/Benzothiazole
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