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1185293-01-9

1185293-01-9 structural image
Product Name: 3-(3,5-DIMETHYL-PYRAZOL-1-YL)-BENZALDEHYDEHYDROCHLORIDE
Formula: C12H13ClN2O
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COMPUTED DESCRIPTORS

Molecular Weight 236.70 g/mol
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 2
Exact Mass 236.0716407 g/mol
Monoisotopic Mass 236.0716407 g/mol
Topological Polar Surface Area 34.9 Ų
Heavy Atom Count 16
Formal Charge 0
Complexity 232
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 2
Compound Is Canonicalized Yes