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113216-88-9

113216-88-9 structural image
Product Name: HYDROQUININE 4-CHLOROBENZOATE
Formula: C27H29ClN2O3
Synonyms: Dihydroquinine 4-chlorobenzoate;Hydroquinine 4-chlorobenzoate
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COMPUTED DESCRIPTORS

Molecular Weight 465.0 g/mol
XLogP3 5.9
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 7
Exact Mass 464.1866705 g/mol
Monoisotopic Mass 464.1866705 g/mol
Topological Polar Surface Area 51.7 Ų
Heavy Atom Count 33
Formal Charge 0
Complexity 670
Isotope Atom Count 0
Defined Atom Stereocenter Count 4
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes