Benzene, 1-chloro-3-isothiocyanato-


Chemical Name: Benzene, 1-chloro-3-isothiocyanato-
CAS Number: 2392-68-9
Product Number: AG003JB6(AGN-PC-0JLPD5)
Synonyms:
MDL No:
Molecular Formula: C7H4ClNS
Molecular Weight: 169.6314

Identification/Properties


Properties
BP:
249.5°C
Storage:
2-8℃;Inert atmosphere;
Form:
Liquid
Stability:
Moisture Sensitive
Refractive Index:
1.658-1.66
Computed Properties
Molecular Weight:
169.626g/mol
XLogP3:
4.1
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
1
Exact Mass:
168.975g/mol
Monoisotopic Mass:
168.975g/mol
Topological Polar Surface Area:
44.4A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
154
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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