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102123-28-4

102123-28-4 structural image
Product Name: METHYL 3-AMINO-4-CYANOTHIOPHENE-2-CARBOXYLATE
Formula: C7H6N2O2S
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COMPUTED DESCRIPTORS

Molecular Weight 182.20 g/mol
XLogP3 1.4
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 2
Exact Mass 182.01499861 g/mol
Monoisotopic Mass 182.01499861 g/mol
Topological Polar Surface Area 104 Ų
Heavy Atom Count 12
Formal Charge 0
Complexity 235
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