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


Chemical Name: 4-bromo-1-tert-butyl-5-phenyl-1H-pyrazole
CAS Number: 1269291-10-2
Product Number: AG000TH5(AGN-PC-09Q644)
Synonyms:
MDL No:
Molecular Formula: C13H15BrN2
Molecular Weight: 279.1756

Identification/Properties


Computed Properties
Molecular Weight:
279.181g/mol
XLogP3:
3.5
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
2
Exact Mass:
278.042g/mol
Monoisotopic Mass:
278.042g/mol
Topological Polar Surface Area:
17.8A^2
Heavy Atom Count:
16
Formal Charge:
0
Complexity:
231
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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