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22868-33-3

22868-33-3 structural image
Product Name: 2-(3-Nitro-phenyl)-benzothiazole
Formula: C13H8N2O2S
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COMPUTED DESCRIPTORS

Molecular Weight 256.28 g/mol
XLogP3 4.1
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 1
Exact Mass 256.03064868 g/mol
Monoisotopic Mass 256.03064868 g/mol
Topological Polar Surface Area 87 Ų
Heavy Atom Count 18
Formal Charge 0
Complexity 321
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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