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926258-29-9

926258-29-9 structural image
Product Name: 4-(4-BROMO-3,5-DIMETHYL-1H-PYRAZOL-1-YL)BENZOIC ACID
Formula: C12H11BrN2O2
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COMPUTED DESCRIPTORS

Molecular Weight 295.13 g/mol
XLogP3 3.1
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 2
Exact Mass 294.00039 g/mol
Monoisotopic Mass 294.00039 g/mol
Topological Polar Surface Area 55.1 Ų
Heavy Atom Count 17
Formal Charge 0
Complexity 292
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