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4514-54-9

4514-54-9 structural image
Product Name: 6-(3-CHLOROPHENYL)-1,3,5-TRIAZINE-2,4-DIAMINE
Formula: C9H8ClN5
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COMPUTED DESCRIPTORS

Molecular Weight 221.64 g/mol
XLogP3 2.3
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 1
Exact Mass 221.0468230 g/mol
Monoisotopic Mass 221.0468230 g/mol
Topological Polar Surface Area 90.7 Ų
Heavy Atom Count 15
Formal Charge 0
Complexity 205
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