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55042-89-2

55042-89-2 structural image
Product Name: 3-CARBOXY-5-(2-CHLOROPHENYL)-1-PHENYLPYRAZOLE
Formula: C16H11ClN2O2
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CHEMICAL AND PHYSICAL PROPERTIES

Solubility >44.8 [ug/mL] (The mean of the results at pH 7.4)

COMPUTED DESCRIPTORS

Molecular Weight 298.72 g/mol
XLogP3 4
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 3
Exact Mass 298.0509053 g/mol
Monoisotopic Mass 298.0509053 g/mol
Topological Polar Surface Area 55.1 Ų
Heavy Atom Count 21
Formal Charge 0
Complexity 373
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