1H-Pyrazole, 4-(1,1-dimethylethyl)-


Chemical Name: 1H-Pyrazole, 4-(1,1-dimethylethyl)-
CAS Number: 105285-21-0
Product Number: AG008Z79(AGN-PC-0035CF)
Synonyms:
MDL No:
Molecular Formula: C7H12N2
Molecular Weight: 124.1836

Identification/Properties


Computed Properties
Molecular Weight:
124.187g/mol
XLogP3:
2.7
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
1
Exact Mass:
124.1g/mol
Monoisotopic Mass:
124.1g/mol
Topological Polar Surface Area:
28.7A^2
Heavy Atom Count:
9
Formal Charge:
0
Complexity:
93.6
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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