Benzene, 1-isocyanato-4-(phenylmethoxy)-


Chemical Name: Benzene, 1-isocyanato-4-(phenylmethoxy)-
CAS Number: 50528-73-9
Product Number: AG003KTT(AGN-PC-0JNTCT)
Synonyms:
MDL No:
Molecular Formula: C14H11NO2
Molecular Weight: 225.24264

Identification/Properties


Properties
MP:
60-62 °C(lit.)
BP:
129 °C0.2 mm Hg(lit.)
Form:
Solid
Refractive Index:
1.5780 (estimate)
Computed Properties
Molecular Weight:
225.247g/mol
XLogP3:
4.6
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
4
Exact Mass:
225.079g/mol
Monoisotopic Mass:
225.079g/mol
Topological Polar Surface Area:
38.7A^2
Heavy Atom Count:
17
Formal Charge:
0
Complexity:
259
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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