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1032506-48-1

1032506-48-1 structural image
Product Name: 3-BROMO-2-HYDROXY-5-METHYL-BENZONITRILE
Formula: C8H6BrNO
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COMPUTED DESCRIPTORS

Molecular Weight 212.04 g/mol
XLogP3 2.9
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 0
Exact Mass 210.96328 g/mol
Monoisotopic Mass 210.96328 g/mol
Topological Polar Surface Area 44 Ų
Heavy Atom Count 11
Formal Charge 0
Complexity 186
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