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91813-57-9

91813-57-9 structural image
Product Name: 4-ALLYL-5-(4-BROMOPHENYL)-4H-1,2,4-TRIAZOLE-3-THIOL
Formula: C11H10BrN3S
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COMPUTED DESCRIPTORS

Molecular Weight 296.19 g/mol
XLogP3 3
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 3
Exact Mass 294.97788 g/mol
Monoisotopic Mass 294.97788 g/mol
Topological Polar Surface Area 59.7 Ų
Heavy Atom Count 16
Formal Charge 0
Complexity 321
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