5-Bromo-2-(chloromethyl)benzoxazole - CAS 110704-48-8
Catalog: |
BB002659 |
Product Name: |
5-Bromo-2-(chloromethyl)benzoxazole |
CAS: |
110704-48-8 |
Synonyms: |
5-bromo-2-(chloromethyl)-1,3-benzoxazole; 5-bromo-2-(chloromethyl)-1,3-benzoxazole |
IUPAC Name: | 5-bromo-2-(chloromethyl)-1,3-benzoxazole |
Description: | 5-Bromo-2-(chloromethyl)benzoxazole (CAS# 110704-48-8) is a useful research chemical. |
Molecular Weight: | 246.49 |
Molecular Formula: | C8H5BrClNO |
Canonical SMILES: | C1=CC2=C(C=C1Br)N=C(O2)CCl |
InChI: | InChI=1S/C8H5BrClNO/c9-5-1-2-7-6(3-5)11-8(4-10)12-7/h1-3H,4H2 |
InChI Key: | CWONURXPYBVLGQ-UHFFFAOYSA-N |
MDL: | MFCD10696614 |
LogP: | 3.32910 |
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-108349996-A | Tricyclic PI3K inhibitor compounds and its application method | 20150908 |
Complexity: | 169 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 244.9243 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 244.9243 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 26 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.9 |
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