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53515-21-2

53515-21-2 structural image
Product Name: 3-BROMO-4-OXO-4-THIEN-2-YLBUTANOIC ACID
Formula: C8H7BrO3S
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COMPUTED DESCRIPTORS

Molecular Weight 263.11 g/mol
XLogP3 1.9
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 4
Exact Mass 261.92993 g/mol
Monoisotopic Mass 261.92993 g/mol
Topological Polar Surface Area 82.6 Ų
Heavy Atom Count 13
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