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80058-93-1

80058-93-1 structural image
Product Name: 1,3-diisopropyl-2-isothiocyanato-5-phenoxybenzene
Formula: C19H21NOS
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COMPUTED DESCRIPTORS

Molecular Weight 311.4 g/mol
XLogP3 7.1
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 5
Exact Mass 311.13438547 g/mol
Monoisotopic Mass 311.13438547 g/mol
Topological Polar Surface Area 53.7 Ų
Heavy Atom Count 22
Formal Charge 0
Complexity 365
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

RELATED SUPPLIERS

Aether Industries Limited

1Y
product:80058-93-1 2,6-Diisopropyl-4-phenoxy phenyl thiocyanate 99%
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