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5743-18-0

5743-18-0 structural image
Product Name: caffeine hydrobromide
Formula: C8H11BrN4O2
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COMPUTED DESCRIPTORS

Molecular Weight 275.10 g/mol
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 0
Exact Mass 274.00654 g/mol
Monoisotopic Mass 274.00654 g/mol
Topological Polar Surface Area 58.4 Ų
Heavy Atom Count 15
Formal Charge 0
Complexity 293
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 2
Compound Is Canonicalized Yes