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62113-49-9

62113-49-9 structural image
Product Name: 3,8-BIS-ETHOXYCARBONYLAMINO-5-(3-BROMO-PROPYL)-6-PHENYL -PHENANTHRIDINIUM BROMIDE
Formula: C28H29Br2N3O4
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COMPUTED DESCRIPTORS

Molecular Weight 631.4 g/mol
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 10
Exact Mass 631.05043 g/mol
Monoisotopic Mass 629.05248 g/mol
Topological Polar Surface Area 80.5 Ų
Heavy Atom Count 37
Formal Charge 0
Complexity 719
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