Benzene, 1-ethoxy-2-isocyanato-


Chemical Name: Benzene, 1-ethoxy-2-isocyanato-
CAS Number: 5395-71-1
Product Number: AG003H6L(AGN-PC-0JLRYQ)
Synonyms:
MDL No:
Molecular Formula: C9H9NO2
Molecular Weight: 163.1733

Identification/Properties


Properties
BP:
259 °C(lit.)
Stability:
Moisture Sensitive/Lachrymatory
Refractive Index:
n20/D 1.5185(lit.)
Computed Properties
Molecular Weight:
163.176g/mol
XLogP3:
3.1
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
3
Exact Mass:
163.063g/mol
Monoisotopic Mass:
163.063g/mol
Topological Polar Surface Area:
38.7A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
175
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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