2-(Chloromethyl)-4-methylbenzoxazole - CAS 143708-32-1
Catalog: |
BB009654 |
Product Name: |
2-(Chloromethyl)-4-methylbenzoxazole |
CAS: |
143708-32-1 |
Synonyms: |
2-(chloromethyl)-4-methyl-1,3-benzoxazole; 2-(chloromethyl)-4-methyl-1,3-benzoxazole |
IUPAC Name: | 2-(chloromethyl)-4-methyl-1,3-benzoxazole |
Description: | 2-(Chloromethyl)-4-methylbenzoxazole (CAS# 143708-32-1 ) is a useful research chemical. |
Molecular Weight: | 181.62 |
Molecular Formula: | C9H8ClNO |
Canonical SMILES: | CC1=C2C(=CC=C1)OC(=N2)CCl |
InChI: | InChI=1S/C9H8ClNO/c1-6-3-2-4-7-9(6)11-8(5-10)12-7/h2-4H,5H2,1H3 |
InChI Key: | NOIXGDYQXXKPLT-UHFFFAOYSA-N |
LogP: | 0.00000 |
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: | 165 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 181.0294416 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 181.0294416 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 26 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.6 |
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Related Functional Groups
Benzoxazole/Benzothiazole
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