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76201-90-6

76201-90-6 structural image
Product Name: 1-(4-CHLOROPHENYL)-6,7-DIMETHOXY-3,4-DIHYDROISOQUINOLINE
Formula: C17H16ClNO2
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CHEMICAL AND PHYSICAL PROPERTIES

Solubility 41.5 [ug/mL] (The mean of the results at pH 7.4)

COMPUTED DESCRIPTORS

Molecular Weight 301.8 g/mol
XLogP3 3.9
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 3
Exact Mass 301.0869564 g/mol
Monoisotopic Mass 301.0869564 g/mol
Topological Polar Surface Area 30.8 Ų
Heavy Atom Count 21
Formal Charge 0
Complexity 379
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