2(3H)-Benzothiazolone, 6-nitro-


Chemical Name: 2(3H)-Benzothiazolone, 6-nitro-
CAS Number: 28620-12-4
Product Number: AG002VVK(AGN-PC-0JU7TH)
Synonyms:
MDL No:
Molecular Formula: C7H4N2O3S
Molecular Weight: 196.1833

Identification/Properties


Computed Properties
Molecular Weight:
196.18g/mol
XLogP3:
1.6
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
0
Exact Mass:
195.994g/mol
Monoisotopic Mass:
195.994g/mol
Topological Polar Surface Area:
100A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
253
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

Safety Information


NMR Spectrum


Other Analytical Data


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