Benzene, 1-isothiocyanato-4-methoxy-


Chemical Name: Benzene, 1-isothiocyanato-4-methoxy-
CAS Number: 2284-20-0
Product Number: AG003LOM(AGN-PC-0JLP9K)
Synonyms:
MDL No:
Molecular Formula: C8H7NOS
Molecular Weight: 165.2123

Identification/Properties


Properties
MP:
18 °C(lit.)
BP:
280.5°C
Storage:
Room Temperature;Inert atmosphere;
Form:
Liquid
Stability:
Moisture Sensitive
Refractive Index:
n20/D 1.653(lit.)
Computed Properties
Molecular Weight:
165.21g/mol
XLogP3:
3.6
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
2
Exact Mass:
165.025g/mol
Monoisotopic Mass:
165.025g/mol
Topological Polar Surface Area:
53.7A^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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