Benzene, 4-(2-isothiocyanatoethyl)-1,2-dimethoxy-


Chemical Name: Benzene, 4-(2-isothiocyanatoethyl)-1,2-dimethoxy-
CAS Number: 21714-25-0
Product Number: AG003IIA(AGN-PC-0JMRM0)
Synonyms:
MDL No:
Molecular Formula: C11H13NO2S
Molecular Weight: 223.2914

Identification/Properties


Computed Properties
Molecular Weight:
223.29g/mol
XLogP3:
3.1
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
5
Exact Mass:
223.067g/mol
Monoisotopic Mass:
223.067g/mol
Topological Polar Surface Area:
62.9A^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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