Benzothiazole,2-(2,4-dinitrophenyl)-


Chemical Name: Benzothiazole,2-(2,4-dinitrophenyl)-
CAS Number: 17586-89-9
Product Number: AG002190(AGN-PC-0QAU16)
Synonyms:
MDL No:
Molecular Formula: C13H7N3O4S
Molecular Weight: 301.2774

Identification/Properties


Computed Properties
Molecular Weight:
333.336g/mol
XLogP3:
4.4
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
7
Rotatable Bond Count:
2
Exact Mass:
332.988g/mol
Monoisotopic Mass:
332.988g/mol
Topological Polar Surface Area:
158A^2
Heavy Atom Count:
22
Formal Charge:
0
Complexity:
442
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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