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3247-70-9

3247-70-9 structural image
Product Name: 2-CHLOROMETHYL-5-(4-CHLOROPHENYL)-1,3,4-THIADIAZOLE
Formula: C4H6N2S
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COMPUTED DESCRIPTORS

Molecular Weight 114.17 g/mol
XLogP3 0.1
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 1
Rotatable Bond Count 0
Exact Mass 114.02516937 g/mol
Monoisotopic Mass 114.02516937 g/mol
Topological Polar Surface Area 56.2 Ų
Heavy Atom Count 7
Formal Charge 0
Complexity 128
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