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2198846-62-5

2198846-62-5 structural image
Product Name: N-(4-Chloro-2,5-dimethoxyphenyl)-N'-[2-methyl-3-(trifluoromethyl)phenyl]thiourea
Formula: C17H16ClF3N2O2S
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COMPUTED DESCRIPTORS

Molecular Weight 404.8 g/mol
XLogP3 4.9
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 4
Exact Mass 404.0573111 g/mol
Monoisotopic Mass 404.0573111 g/mol
Topological Polar Surface Area 74.6 Ų
Heavy Atom Count 26
Formal Charge 0
Complexity 483
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