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386705-82-4

386705-82-4 structural image
Product Name: 3-(4-CHLORO-3,5-DIMETHYL-PYRAZOL-1-YLMETHYL)-BENZOIC ACID
Formula: C13H13ClN2O2
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COMPUTED DESCRIPTORS

Molecular Weight 264.71 g/mol
XLogP3 2.8
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 3
Exact Mass 264.0665554 g/mol
Monoisotopic Mass 264.0665554 g/mol
Topological Polar Surface Area 55.1 Ų
Heavy Atom Count 18
Formal Charge 0
Complexity 313
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