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333345-89-4

333345-89-4 structural image
Product Name: 3-bromo-N-pentylbenzamide
Formula: C12H16BrNO
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CHEMICAL AND PHYSICAL PROPERTIES

Kovats Retention Index 2057

COMPUTED DESCRIPTORS

Molecular Weight 270.17 g/mol
XLogP3 2.5
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 1
Rotatable Bond Count 5
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 196
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