2-(Chloromethyl)-5-methylbenzoxazole - CAS 41014-44-2
Catalog: |
BB024751 |
Product Name: |
2-(Chloromethyl)-5-methylbenzoxazole |
CAS: |
41014-44-2 |
Synonyms: |
2-(chloromethyl)-5-methyl-1,3-benzoxazole; 2-(chloromethyl)-5-methyl-1,3-benzoxazole |
IUPAC Name: | 2-(chloromethyl)-5-methyl-1,3-benzoxazole |
Description: | 2-(Chloromethyl)-5-methylbenzoxazole (CAS# 41014-44-2) is a useful research chemical. |
Molecular Weight: | 181.62 |
Molecular Formula: | C9H8ClNO |
Canonical SMILES: | CC1=CC2=C(C=C1)OC(=N2)CCl |
InChI: | InChI=1S/C9H8ClNO/c1-6-2-3-8-7(4-6)11-9(5-10)12-8/h2-4H,5H2,1H3 |
InChI Key: | HLMSMIKJAZQYJS-UHFFFAOYSA-N |
Boiling Point: | 260.2 °C at 760 mmHg |
Density: | 1.265 g/cm3 |
MDL: | MFCD07366537 |
LogP: | 2.87500 |
Publication Number | Title | Priority Date |
WO-2021170600-A1 | Pyrrolopyridine and imidazopyridine antiviral compounds | 20200224 |
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 |
US-2014142114-A1 | Anthelmintic compounds and compositions and method of using thereof | 20121120 |
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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