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381705-51-7

381705-51-7 structural image
Product Name: 1-ISOBUTYL-1H-BENZIMIDAZOLE-2-SULFONIC ACID
Formula: C11H14N2O3S
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CHEMICAL AND PHYSICAL PROPERTIES

Solubility >38.1 [ug/mL] (The mean of the results at pH 7.4)

COMPUTED DESCRIPTORS

Molecular Weight 254.31 g/mol
XLogP3 1.8
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 3
Exact Mass 254.07251349 g/mol
Monoisotopic Mass 254.07251349 g/mol
Topological Polar Surface Area 80.6 Ų
Heavy Atom Count 17
Formal Charge 0
Complexity 363
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

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