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2639413-02-6

2639413-02-6 structural image
Product Name: 4-bromo-1-{3-iodobicyclo[1.1.1]pentan-1-yl}-1H-pyrazole
Formula: C8H8BrIN2
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COMPUTED DESCRIPTORS

Molecular Weight 338.97 g/mol
XLogP3 2.2
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 1
Rotatable Bond Count 1
Exact Mass 337.89156 g/mol
Monoisotopic Mass 337.89156 g/mol
Topological Polar Surface Area 17.8 Ų
Heavy Atom Count 12
Formal Charge 0
Complexity 213
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