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175137-59-4

175137-59-4 structural image
Product Name: 2-(4-BROMO-3,5-DIMETHYL-1H-PYRAZOL-1-YL)ACETONITRILE
Formula: C7H8BrN3
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COMPUTED DESCRIPTORS

Molecular Weight 214.06 g/mol
XLogP3 1.6
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 1
Exact Mass 212.99016 g/mol
Monoisotopic Mass 212.99016 g/mol
Topological Polar Surface Area 41.6 Ų
Heavy Atom Count 11
Formal Charge 0
Complexity 185
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