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Homecas94834-02-3

94834-02-3

94834-02-3 structural image
Product Name: Ethanone, 1-(6-nitro-2-benzothiazolyl)- (9CI)
Formula: C9H6N2O3S
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COMPUTED DESCRIPTORS

Molecular Weight 222.22 g/mol
XLogP3 2.5
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 1
Exact Mass 222.00991323 g/mol
Monoisotopic Mass 222.00991323 g/mol
Topological Polar Surface Area 104 Ų
Heavy Atom Count 15
Formal Charge 0
Complexity 292
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