2-(Chloromethyl)-5-methoxybenzoxazole - CAS 63842-21-7
Catalog: |
BB032300 |
Product Name: |
2-(Chloromethyl)-5-methoxybenzoxazole |
CAS: |
63842-21-7 |
Synonyms: |
2-(chloromethyl)-5-methoxy-1,3-benzoxazole; 2-(chloromethyl)-5-methoxy-1,3-benzoxazole |
IUPAC Name: | 2-(chloromethyl)-5-methoxy-1,3-benzoxazole |
Description: | 2-(Chloromethyl)-5-methoxybenzoxazole (CAS# 63842-21-7 ) is a useful research chemical. |
Molecular Weight: | 197.62 |
Molecular Formula: | C9H8ClNO2 |
Canonical SMILES: | COC1=CC2=C(C=C1)OC(=N2)CCl |
InChI: | InChI=1S/C9H8ClNO2/c1-12-6-2-3-8-7(4-6)11-9(5-10)13-8/h2-4H,5H2,1H3 |
InChI Key: | RPNWQYOIWIVPTQ-UHFFFAOYSA-N |
MDL: | MFCD09836173 |
LogP: | 2.57520 |
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 |
Complexity: | 179 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 197.0243562 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 197.0243562 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 35.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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