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121313-15-3

121313-15-3 structural image
Product Name: (S)-4-BROMO-HOMO-IBOTENIC ACID
Formula: C6H7BrN2O4
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COMPUTED DESCRIPTORS

Molecular Weight 237.01 g/mol
XLogP3 -3
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 2
Exact Mass 235.94327 g/mol
Monoisotopic Mass 235.94327 g/mol
Topological Polar Surface Area 102 Ų
Heavy Atom Count 12
Formal Charge 0
Complexity 275
Isotope Atom Count 0
Defined Atom Stereocenter Count 1
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes