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679414-78-9

679414-78-9 structural image
Product Name: 2-[[2-CHLORO-6-ETHOXY-4-(HYDROXYMETHYL)PHENOXY]METHYL]-BENZONITRILE
Formula: C17H16ClNO3
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COMPUTED DESCRIPTORS

Molecular Weight 317.8 g/mol
XLogP3 3.2
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 6
Exact Mass 317.0818711 g/mol
Monoisotopic Mass 317.0818711 g/mol
Topological Polar Surface Area 62.5 Ų
Heavy Atom Count 22
Formal Charge 0
Complexity 383
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