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447412-27-3

447412-27-3 structural image
Product Name: 5-[(4-Chloro-3-methylphenoxy)methyl]-4-methyl-4H-1,2,4-triazole-3-thiol
Formula: C11H12ClN3OS
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COMPUTED DESCRIPTORS

Molecular Weight 269.75 g/mol
XLogP3 2.7
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 3
Exact Mass 269.0389609 g/mol
Monoisotopic Mass 269.0389609 g/mol
Topological Polar Surface Area 69 Ų
Heavy Atom Count 17
Formal Charge 0
Complexity 337
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