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14132-86-6

14132-86-6 structural image
Product Name: 4-(4-METHOXY-PHENYL)-4H-[1,2,4]TRIAZOLE-3-THIOL
Formula: C9H9N3OS
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COMPUTED DESCRIPTORS

Molecular Weight 207.25 g/mol
XLogP3 1.5
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 2
Exact Mass 207.04663309 g/mol
Monoisotopic Mass 207.04663309 g/mol
Topological Polar Surface Area 69 Ų
Heavy Atom Count 14
Formal Charge 0
Complexity 248
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