1H-Pyrazole, 4-bromo-1,3,5-trimethyl-


Chemical Name: 1H-Pyrazole, 4-bromo-1,3,5-trimethyl-
CAS Number: 15801-69-1
Product Number: AG001PX2(AGN-PC-07H7WJ)
Synonyms:
MDL No: MFCD00052532
Molecular Formula: C6H9BrN2
Molecular Weight: 189.0531

Identification/Properties


Computed Properties
Molecular Weight:
189.056g/mol
XLogP3:
1.7
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
0
Exact Mass:
187.995g/mol
Monoisotopic Mass:
187.995g/mol
Topological Polar Surface Area:
17.8A^2
Heavy Atom Count:
9
Formal Charge:
0
Complexity:
107
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

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NMR Spectrum


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