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306980-04-1

306980-04-1 structural image
Product Name: ETHYL 6-[(4-CHLOROBENZYL)SULFANYL]-5-CYANO-2-PHENYLNICOTINATE
Formula: C22H17ClN2O2S
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COMPUTED DESCRIPTORS

Molecular Weight 408.9 g/mol
XLogP3 5.4
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 7
Exact Mass 408.0699267 g/mol
Monoisotopic Mass 408.0699267 g/mol
Topological Polar Surface Area 88.3 Ų
Heavy Atom Count 28
Formal Charge 0
Complexity 552
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