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121556-56-7

121556-56-7 structural image
Product Name: 2-[(E)-2-(2-CHLORO-3-((E)-2-[3-ETHYL-5-PHENYL-1,3-BENZOXAZOL-2(3H)-YLIDENE]ETHYLIDENE)-1-CYCLOPENTEN-1-YL)ETHENYL]-3-ETHYL-5-PHENYL-1,3-BENZOXAZOL-3-IUM IODIDE
Formula: C39H34ClIN2O2
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COMPUTED DESCRIPTORS

Molecular Weight 725.1 g/mol
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 7
Exact Mass 724.13535 g/mol
Monoisotopic Mass 724.13535 g/mol
Topological Polar Surface Area 29.5 Ų
Heavy Atom Count 45
Formal Charge 0
Complexity 1030
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 3
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 2
Compound Is Canonicalized Yes