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883019-23-6

883019-23-6 structural image
Product Name: 4-(4-CHLORO-PHENYL)-5-(3,4-DIMETHOXY-BENZYL)-4H-[1,2,4]TRIAZOLE-3-THIOL
Formula: C17H16ClN3O2S
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COMPUTED DESCRIPTORS

Molecular Weight 361.8 g/mol
XLogP3 3.7
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 5
Exact Mass 361.0651756 g/mol
Monoisotopic Mass 361.0651756 g/mol
Topological Polar Surface Area 78.2 Ų
Heavy Atom Count 24
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