Benzene, 4-chloro-2-isothiocyanato-1-methoxy-


Chemical Name: Benzene, 4-chloro-2-isothiocyanato-1-methoxy-
CAS Number: 63429-99-2
Product Number: AG003MN8(AGN-PC-0JVOPC)
Synonyms:
MDL No:
Molecular Formula: C8H6ClNOS
Molecular Weight: 199.6573

Identification/Properties


Properties
MP:
56-59°C
BP:
164-165°C
Storage:
2-8℃;
Form:
Solid
Stability:
Moisture Sensitive
Computed Properties
Molecular Weight:
199.652g/mol
XLogP3:
3.9
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
2
Exact Mass:
198.986g/mol
Monoisotopic Mass:
198.986g/mol
Topological Polar Surface Area:
53.7A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
194
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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