2-(Chloromethyl)-4-nitrobenzoxazole - CAS 143708-26-3
Catalog: |
BB009653 |
Product Name: |
2-(Chloromethyl)-4-nitrobenzoxazole |
CAS: |
143708-26-3 |
Synonyms: |
2-(chloromethyl)-4-nitro-1,3-benzoxazole; 2-(chloromethyl)-4-nitro-1,3-benzoxazole |
IUPAC Name: | 2-(chloromethyl)-4-nitro-1,3-benzoxazole |
Description: | 2-(Chloromethyl)-4-nitrobenzoxazole (CAS# 143708-26-3 ) is a useful research chemical. |
Molecular Weight: | 212.59 |
Molecular Formula: | C8H5ClN2O3 |
Canonical SMILES: | C1=CC(=C2C(=C1)OC(=N2)CCl)[N+](=O)[O-] |
InChI: | InChI=1S/C8H5ClN2O3/c9-4-7-10-8-5(11(12)13)2-1-3-6(8)14-7/h1-3H,4H2 |
InChI Key: | RTWKRGSOUYVHPR-UHFFFAOYSA-N |
MDL: | MFCD09027181 |
LogP: | 2.99800 |
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 |
EP-1959962-A2 | Certain chemical entities, compositions, and methods | 20051216 |
Complexity: | 233 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 211.9988697 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 211.9988697 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 71.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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Benzoxazole/Benzothiazole
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