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69094-16-2

69094-16-2 structural image
Product Name: 3-BROMO-3-NITRO-2,4-PENTANEDIOL
Formula: C5H10BrNO4
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COMPUTED DESCRIPTORS

Molecular Weight 228.04 g/mol
XLogP3 0.2
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 2
Exact Mass 226.97932 g/mol
Monoisotopic Mass 226.97932 g/mol
Topological Polar Surface Area 86.3 Ų
Heavy Atom Count 11
Formal Charge 0
Complexity 149
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 2
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes