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874623-14-0

874623-14-0 structural image
Product Name: 1,3-BENZOTHIAZOL-2-YL(DICHLORO)ACETONITRILE
Formula: C11H12ClNO2S
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COMPUTED DESCRIPTORS

Molecular Weight 257.74 g/mol
XLogP3 1.9
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 4
Exact Mass 257.0277275 g/mol
Monoisotopic Mass 257.0277275 g/mol
Topological Polar Surface Area 71.5 Ų
Heavy Atom Count 16
Formal Charge 0
Complexity 273
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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