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2750161-96-5

2750161-96-5 structural image
Product Name: Benzoxazolium, 5,7-bis(1,1-dimethylethyl)-3-(3-fluorophenyl)-, tetrafluoroborate(1-) (1:1)
Formula: C21H25BF5NO
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COMPUTED DESCRIPTORS

Molecular Weight 413.2 g/mol
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 7
Rotatable Bond Count 3
Exact Mass 413.1949354 g/mol
Monoisotopic Mass 413.1949354 g/mol
Topological Polar Surface Area 17 Ų
Heavy Atom Count 29
Formal Charge 0
Complexity 457
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 2
Compound Is Canonicalized Yes