Benzene, 5-isothiocyanato-1,2,3-trimethoxy-


Chemical Name: Benzene, 5-isothiocyanato-1,2,3-trimethoxy-
CAS Number: 35967-24-9
Product Number: AG003IF3(AGN-PC-0JLM4W)
Synonyms:
MDL No:
Molecular Formula: C10H11NO3S
Molecular Weight: 225.2642

Identification/Properties


Properties
MP:
62-65℃(lit.)
Storage:
2-8℃;Inert atmosphere;
Form:
Solid
Computed Properties
Molecular Weight:
225.262g/mol
XLogP3:
3.2
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
4
Exact Mass:
225.046g/mol
Monoisotopic Mass:
225.046g/mol
Topological Polar Surface Area:
72.1A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
229
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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