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122584-14-9

122584-14-9 structural image
Product Name: 4a,5,9,10,11,12-hexahydro-1-bromo-3-methoxy-11-formyl-6H-benzofuro[3a,3,2-ef ][2]benzazepin-6-one
Formula: C17H16BrNO4
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COMPUTED DESCRIPTORS

Molecular Weight 378.2 g/mol
XLogP3 1.9
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 1
Exact Mass 377.02627 g/mol
Monoisotopic Mass 377.02627 g/mol
Topological Polar Surface Area 55.8 Ų
Heavy Atom Count 23
Formal Charge 0
Complexity 553
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 1
Compound Is Canonicalized Yes