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306937-02-0

306937-02-0 structural image
Product Name: 3-(TERT-BUTYL)-1-(2,4-DICHLOROBENZYL)-1H-PYRAZOLE-5-CARBOXYLIC ACID
Formula: C15H16Cl2N2O2
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CHEMICAL AND PHYSICAL PROPERTIES

Solubility 29.8 [ug/mL] (The mean of the results at pH 7.4)

COMPUTED DESCRIPTORS

Molecular Weight 327.2 g/mol
XLogP3 4.7
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 4
Exact Mass 326.0588831 g/mol
Monoisotopic Mass 326.0588831 g/mol
Topological Polar Surface Area 55.1 Ų
Heavy Atom Count 21
Formal Charge 0
Complexity 386
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