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306980-11-0

306980-11-0 structural image
Product Name: ETHYL 5-CYANO-6-[(2,4-DICHLOROBENZYL)SULFANYL]-2-PHENYLNICOTINATE
Formula: C22H16Cl2N2O2S
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COMPUTED DESCRIPTORS

Molecular Weight 443.3 g/mol
XLogP3 6
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 7
Exact Mass 442.0309543 g/mol
Monoisotopic Mass 442.0309543 g/mol
Topological Polar Surface Area 88.3 Ų
Heavy Atom Count 29
Formal Charge 0
Complexity 593
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