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3889-59-6

3889-59-6 structural image
Product Name: 4-Isothiazolecarboxylic acid, 3,5-dichloro
Formula: C4HCl2NO2S
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COMPUTED DESCRIPTORS

Molecular Weight 198.03 g/mol
XLogP3 2.4
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 1
Exact Mass 196.9105048 g/mol
Monoisotopic Mass 196.9105048 g/mol
Topological Polar Surface Area 78.4 Ų
Heavy Atom Count 10
Formal Charge 0
Complexity 156
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