Benzene, 1-chloro-4-(isothiocyanatomethyl)-


Chemical Name: Benzene, 1-chloro-4-(isothiocyanatomethyl)-
CAS Number: 3694-45-9
Product Number: AG003L6W(AGN-PC-0JKENM)
Synonyms:
MDL No:
Molecular Formula: C8H6ClNS
Molecular Weight: 183.6579

Identification/Properties


Properties
Storage:
2-8℃;Inert atmosphere;
Computed Properties
Molecular Weight:
183.653g/mol
XLogP3:
3.8
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
2
Exact Mass:
182.991g/mol
Monoisotopic Mass:
182.991g/mol
Topological Polar Surface Area:
44.4A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
158
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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