2-Bromo-5-methyl-1,3,4-oxadiazole - CAS 864750-58-3
Catalog: |
BB037945 |
Product Name: |
2-Bromo-5-methyl-1,3,4-oxadiazole |
CAS: |
864750-58-3 |
Synonyms: |
2-bromo-5-methyl-1,3,4-oxadiazole; 2-bromo-5-methyl-1,3,4-oxadiazole |
IUPAC Name: | 2-bromo-5-methyl-1,3,4-oxadiazole |
Description: | 2-Bromo-5-methyl-1,3,4-oxadiazole (CAS# 864750-58-3) is a useful research chemical. |
Molecular Weight: | 162.97 |
Molecular Formula: | C3H3BrN2O |
Canonical SMILES: | CC1=NN=C(O1)Br |
InChI: | InChI=1S/C3H3BrN2O/c1-2-5-6-3(4)7-2/h1H3 |
InChI Key: | KLFIDXBWKMWDOF-UHFFFAOYSA-N |
Boiling Point: | 208.3 ℃ at 760 mmHg |
Density: | 1.788 g/cm3 |
MDL: | MFCD12027126 |
LogP: | 1.14050 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021121294-A1 | Triazolopyridazine derivative, preparation method therefor, pharmaceutical composition thereof, and use thereof | 20191216 |
WO-2021087127-A1 | Cannabinoids and uses thereof | 20191029 |
WO-2020249773-A1 | Next-generation modulators of stimulator of interferon genes (sting) | 20190612 |
WO-2020224656-A1 | Bisheterocyclic carbonyl substituted dihydropyrazole compound, preparation method therefor and pharmaceutical use thereof | 20190509 |
WO-2020182990-A1 | Fused ring pyrimidone derivatives for use in the treatment of hbv infection or of hbv-induced diseases | 20190314 |
Complexity: | 70 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 161.94288 |
Formal Charge: | 0 |
Heavy Atom Count: | 7 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 161.94288 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 38.9 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.5 |
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