Benzene, 1-[(2,2-dichloro-1-isothiocyanatoethenyl)sulfonyl]-4-methyl-


Chemical Name: Benzene, 1-[(2,2-dichloro-1-isothiocyanatoethenyl)sulfonyl]-4-methyl-
CAS Number: 147622-09-1
Product Number: AG001F1V(AGN-PC-0JUV5X)
Synonyms:
MDL No:
Molecular Formula: C10H7Cl2NO2S2
Molecular Weight: 308.2041

Identification/Properties


Computed Properties
Molecular Weight:
308.191g/mol
XLogP3:
4.7
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
3
Exact Mass:
306.93g/mol
Monoisotopic Mass:
306.93g/mol
Topological Polar Surface Area:
87A^2
Heavy Atom Count:
17
Formal Charge:
0
Complexity:
449
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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