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1065073-96-2

1065073-96-2 structural image
Product Name: 4-Bromo-N-butyl-3-methylbenzamide
Formula: C12H16BrNO
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COMPUTED DESCRIPTORS

Molecular Weight 270.17 g/mol
XLogP3 3.5
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 1
Rotatable Bond Count 4
Exact Mass 269.04153 g/mol
Monoisotopic Mass 269.04153 g/mol
Topological Polar Surface Area 29.1 Ų
Heavy Atom Count 15
Formal Charge 0
Complexity 208
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