1H-Pyrazole, 4-bromo-3-methyl-


Chemical Name: 1H-Pyrazole, 4-bromo-3-methyl-
CAS Number: 13808-64-5
Product Number: AG0017YV(AGN-PC-0O1H27)
Synonyms:
MDL No:
Molecular Formula: C4H5BrN2
Molecular Weight: 160.9999

Identification/Properties


Properties
MP:
77-79 °C
BP:
259.9 °C at 760 mmHg
Storage:
Inert atmosphere;Room Temperature;
Form:
Solid
Refractive Index:
1.5182 (estimate)
Solubility:
methanol: soluble0.25g/5mL, clear, colorless to yellow
Computed Properties
Molecular Weight:
161.002g/mol
XLogP3:
1.3
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
0
Exact Mass:
159.964g/mol
Monoisotopic Mass:
159.964g/mol
Topological Polar Surface Area:
28.7A^2
Heavy Atom Count:
7
Formal Charge:
0
Complexity:
66.7
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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