1H-Pyrazole-1-acetic acid, 4-bromo-3,5-dimethyl-,1,1-dimethylethyl ester


Chemical Name: 1H-Pyrazole-1-acetic acid, 4-bromo-3,5-dimethyl-,1,1-dimethylethyl ester
CAS Number: 2013373-96-9
Product Number: AG019F0Z(AG019F0Z)
Synonyms:
MDL No:
Molecular Formula: C11H17BrN2O2
Molecular Weight: 289.1689

Identification/Properties


Computed Properties
Molecular Weight:
289.173g/mol
XLogP3:
2.7
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
4
Exact Mass:
288.047g/mol
Monoisotopic Mass:
288.047g/mol
Topological Polar Surface Area:
44.1A^2
Heavy Atom Count:
16
Formal Charge:
0
Complexity:
265
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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