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112969-42-3

112969-42-3 structural image
Product Name: 4-CHLORO-5-CYANO-2-METHYL-6-(METHYLTHIO)PYRIMIDINE
Formula: C7H6ClN3S
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COMPUTED DESCRIPTORS

Molecular Weight 199.66 g/mol
XLogP3 2.1
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 1
Exact Mass 198.9970961 g/mol
Monoisotopic Mass 198.9970961 g/mol
Topological Polar Surface Area 74.9 Ų
Heavy Atom Count 12
Formal Charge 0
Complexity 202
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