Benzene, 1-isothiocyanato-3-methoxy-


Chemical Name: Benzene, 1-isothiocyanato-3-methoxy-
CAS Number: 3125-64-2
Product Number: AG003JNS(AGN-PC-0JMPQ2)
Synonyms:
MDL No:
Molecular Formula: C8H7NOS
Molecular Weight: 165.2123

Identification/Properties


Properties
BP:
129°C at 11 mmHg
Form:
Liquid
Computed Properties
Molecular Weight:
165.21g/mol
XLogP3:
3.7
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:
166
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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