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104581-09-1

104581-09-1 structural image
Product Name: 5'-AMINO-4''-CHLORO-4-METHYL-[1,1':3',1'']TERPHENYL-4',6'-DICARBONITRILE
Formula: C21H14ClN3
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COMPUTED DESCRIPTORS

Molecular Weight 343.8 g/mol
XLogP3 5.5
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 2
Exact Mass 343.0876252 g/mol
Monoisotopic Mass 343.0876252 g/mol
Topological Polar Surface Area 73.6 Ų
Heavy Atom Count 25
Formal Charge 0
Complexity 542
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