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219930-05-9

219930-05-9 structural image
Product Name: 4-(CYANOMETHYL)PHENYL 2-CHLORONICOTINATE
Formula: C14H9ClN2O2
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CHEMICAL AND PHYSICAL PROPERTIES

Solubility >40.9 [ug/mL] (The mean of the results at pH 7.4)

COMPUTED DESCRIPTORS

Molecular Weight 272.68 g/mol
XLogP3 2.9
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 4
Exact Mass 272.0352552 g/mol
Monoisotopic Mass 272.0352552 g/mol
Topological Polar Surface Area 63 Ų
Heavy Atom Count 19
Formal Charge 0
Complexity 358
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