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


Chemical Name: Benzene, 1,3,5-trichloro-2-isothiocyanato-
CAS Number: 22134-07-2
Product Number: AG003FMV(AGN-PC-0JLOF4)
Synonyms:
MDL No:
Molecular Formula: C7H2Cl3NS
Molecular Weight: 238.5215

Identification/Properties


Properties
MP:
72-75 °C(lit.)
BP:
324.1±42.0 °C(Predicted)
Form:
Solid
Stability:
Moisture Sensitive
Computed Properties
Molecular Weight:
238.51g/mol
XLogP3:
5.2
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
1
Exact Mass:
236.897g/mol
Monoisotopic Mass:
236.897g/mol
Topological Polar Surface Area:
44.4A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
193
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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