Benzene, 1,2-dichloro-3-isothiocyanato-


Chemical Name: Benzene, 1,2-dichloro-3-isothiocyanato-
CAS Number: 6590-97-2
Product Number: AG003FHQ(AGN-PC-0KL850)
Synonyms:
MDL No:
Molecular Formula: C7H3Cl2NS
Molecular Weight: 204.0764

Identification/Properties


Properties
MP:
257°C
BP:
256-258 °C(lit.)
Form:
Solid
Stability:
Moisture Sensitive
Refractive Index:
n20/D 1.675(lit.)
Computed Properties
Molecular Weight:
204.068g/mol
XLogP3:
4.6
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
1
Exact Mass:
202.936g/mol
Monoisotopic Mass:
202.936g/mol
Topological Polar Surface Area:
44.4A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
179
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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