1-tert-butyl-5-phenyl-1H-pyrazole


Chemical Name: 1-tert-butyl-5-phenyl-1H-pyrazole
CAS Number: 1204355-48-5
Product Number: AG0097GB(AGN-PC-09Q63S)
Synonyms:
MDL No:
Molecular Formula: C13H16N2
Molecular Weight: 200.2795

Identification/Properties


Computed Properties
Molecular Weight:
200.285g/mol
XLogP3:
2.8
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
2
Exact Mass:
200.131g/mol
Monoisotopic Mass:
200.131g/mol
Topological Polar Surface Area:
17.8A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
201
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


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302
Precautionary Statements:
P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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