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175135-80-5

175135-80-5 structural image
Product Name: 2-(4-CHLOROPHENOXY)NICOTINAMIDE
Formula: C12H9ClN2O2
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CHEMICAL AND PHYSICAL PROPERTIES

Solubility >37.3 [ug/mL] (The mean of the results at pH 7.4)

COMPUTED DESCRIPTORS

Molecular Weight 248.66 g/mol
XLogP3 2.2
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 3
Exact Mass 248.0352552 g/mol
Monoisotopic Mass 248.0352552 g/mol
Topological Polar Surface Area 65.2 Ų
Heavy Atom Count 17
Formal Charge 0
Complexity 267
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