1290630-80-6
Product Name:
Boronic acid, B,B'-[5''-(4'-borono[1,1'-biphenyl]-4-yl)[1,1':4',1'':3'',1''':4''',1''''-quinquephenyl]-4,4''''-diyl]bis-
Formula:
C42H33B3O6
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COMPUTED DESCRIPTORS
Molecular Weight | 666.1 g/mol |
---|---|
Hydrogen Bond Donor Count | 6 |
Hydrogen Bond Acceptor Count | 6 |
Rotatable Bond Count | 9 |
Exact Mass | 666.2556293 g/mol |
Monoisotopic Mass | 666.2556293 g/mol |
Topological Polar Surface Area | 121 Ų |
Heavy Atom Count | 51 |
Formal Charge | 0 |
Complexity | 875 |
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 |