5-chloro-2-(chloromethyl)-1,3-benzoxazole - CAS 63842-22-8
Catalog: |
BB032301 |
Product Name: |
5-chloro-2-(chloromethyl)-1,3-benzoxazole |
CAS: |
63842-22-8 |
Synonyms: |
5-chloro-2-(chloromethyl)-1,3-benzoxazole; 5-chloro-2-(chloromethyl)-1,3-benzoxazole |
IUPAC Name: | 5-chloro-2-(chloromethyl)-1,3-benzoxazole |
Description: | 5-chloro-2-(chloromethyl)-1,3-benzoxazole (CAS# 63842-22-8) is a useful research chemical. |
Molecular Weight: | 202.04 |
Molecular Formula: | C8H5Cl2NO |
Canonical SMILES: | C1=CC2=C(C=C1Cl)N=C(O2)CCl |
InChI: | InChI=1S/C8H5Cl2NO/c9-4-8-11-6-3-5(10)1-2-7(6)12-8/h1-3H,4H2 |
InChI Key: | SMGVJNOYBXYDFB-UHFFFAOYSA-N |
Boiling Point: | 277.3 °C at 760 mmHg |
Density: | 1.451 g/cm3 |
MDL: | MFCD05663796 |
LogP: | 3.22000 |
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 |
CN-113166161-A | Compound with PDE9A inhibitory activity and pharmaceutical use thereof | 20181206 |
EP-3892623-A1 | Compounds having pde9a inhibitory activity, and pharmaceutical uses thereof | 20181206 |
CN-105492437-A | Substituted benzofuranyl and benzoxazolyl compounds and uses thereof | 20130703 |
Complexity: | 167 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 200.9748192 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 200.9748192 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 26 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.8 |
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Benzoxazole/Benzothiazole
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