Isoxazole, 4-bromo-3,5-dimethyl-


Chemical Name: Isoxazole, 4-bromo-3,5-dimethyl-
CAS Number: 10558-25-5
Product Number: AG003KXU(AGN-PC-07H7WK)
Synonyms:
MDL No:
Molecular Formula: C5H6BrNO
Molecular Weight: 176.0112

Identification/Properties


Properties
MP:
>325°C
BP:
431.1°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Stability:
Light Sensitive
Refractive Index:
n20/D 1.486(lit.)
Computed Properties
Molecular Weight:
176.013g/mol
XLogP3:
1.9
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
0
Exact Mass:
174.963g/mol
Monoisotopic Mass:
174.963g/mol
Topological Polar Surface Area:
26A^2
Heavy Atom Count:
8
Formal Charge:
0
Complexity:
88.5
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


NMR Spectrum


Other Analytical Data


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