Benzene, 1-isocyanato-4-phenoxy-


Chemical Name: Benzene, 1-isocyanato-4-phenoxy-
CAS Number: 59377-19-4
Product Number: AG003LYV(AGN-PC-0KK6SP)
Synonyms:
MDL No: MFCD00013876
Molecular Formula: C13H9NO2
Molecular Weight: 211.2161

Identification/Properties


Properties
BP:
170 °C3 mm Hg(lit.)
Storage:
Keep in dry area;2-8℃;
Form:
Liquid
Stability:
Moisture Sensitive
Refractive Index:
n20/D 1.595(lit.)
Computed Properties
Molecular Weight:
211.22g/mol
XLogP3:
4.5
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
3
Exact Mass:
211.063g/mol
Monoisotopic Mass:
211.063g/mol
Topological Polar Surface Area:
38.7A^2
Heavy Atom Count:
16
Formal Charge:
0
Complexity:
247
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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