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1485684-77-2

1485684-77-2 structural image
Product Name: 4-(2-Bromoethynyl)benzoic acid
Formula: C9H5BrO2
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COMPUTED DESCRIPTORS

Molecular Weight 225.04 g/mol
XLogP3 3.2
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 2
Exact Mass 223.94729 g/mol
Monoisotopic Mass 223.94729 g/mol
Topological Polar Surface Area 37.3 Ų
Heavy Atom Count 12
Formal Charge 0
Complexity 227
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