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499209-83-5

499209-83-5 structural image
Product Name: 1-[bis(2-hydroxyethyl)amino]-3-(4-bromophenoxy)propan-2-ol
Formula: C13H20BrNO4
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CHEMICAL AND PHYSICAL PROPERTIES

Solubility 6.7 [ug/mL] (The mean of the results at pH 7.4)

COMPUTED DESCRIPTORS

Molecular Weight 334.21 g/mol
XLogP3 0.6
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 9
Exact Mass 333.05757 g/mol
Monoisotopic Mass 333.05757 g/mol
Topological Polar Surface Area 73.2 Ų
Heavy Atom Count 19
Formal Charge 0
Complexity 219
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes