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583844-38-6

583844-38-6 structural image
Product Name: ((4S,5S)-(-)-O-[1-BENZYL-1-(5-METHYL-2-PHENYL-4,5-DIHYDROOXAZOL-4-YL)-2-PHENYLETHYL]-DICYCLOHEXYL-PHOSPHINITE)(1,5-COD)IRIDIUM (I) TETRAKIS(3,5-BIS(TRIFLUOROMETHYL)PHENYLBORATE
Formula: C77H67BF24IrNO2P
Synonyms: [((4S,5S)-Cy2-Ubaphox)Ir(COD)]BARF;Ubaphox
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COMPUTED DESCRIPTORS

Molecular Weight 1731.3 g/mol
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 28
Rotatable Bond Count 14
Exact Mass 1731.44832 g/mol
Monoisotopic Mass 1731.44832 g/mol
Topological Polar Surface Area 30.8 Ų
Heavy Atom Count 107
Formal Charge -1
Complexity 1850
Isotope Atom Count 0
Defined Atom Stereocenter Count 2
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 4
Compound Is Canonicalized Yes