Benzoyl isocyanate


Chemical Name: Benzoyl isocyanate
CAS Number: 4461-33-0
Product Number: AG0037UM(AGN-PC-0BEZK3)
Synonyms:
MDL No:
Molecular Formula: C8H5NO2
Molecular Weight: 147.1308

Identification/Properties


Computed Properties
Molecular Weight:
147.133g/mol
XLogP3:
2.6
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
1
Exact Mass:
147.032g/mol
Monoisotopic Mass:
147.032g/mol
Topological Polar Surface Area:
46.5A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
188
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


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