Ethanone, 1-(3-isocyanatophenyl)-


Chemical Name: Ethanone, 1-(3-isocyanatophenyl)-
CAS Number: 23138-64-9
Product Number: AG002MB3(AGN-PC-0JOTVD)
Synonyms:
MDL No:
Molecular Formula: C9H7NO2
Molecular Weight: 161.1574

Identification/Properties


Properties
MP:
33-34℃ (lit.)
Form:
Solid
Computed Properties
Molecular Weight:
161.16g/mol
XLogP3:
2.4
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
2
Exact Mass:
161.048g/mol
Monoisotopic Mass:
161.048g/mol
Topological Polar Surface Area:
46.5A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
219
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

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NMR Spectrum


Other Analytical Data


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