Benzeneacetonitrile, 3-benzoyl-


Chemical Name: Benzeneacetonitrile, 3-benzoyl-
CAS Number: 21288-34-6
Product Number: AG007QVQ(AGN-PC-0JLXP9)
Synonyms:
MDL No:
Molecular Formula: C15H11NO
Molecular Weight: 221.2539

Identification/Properties


Computed Properties
Molecular Weight:
221.259g/mol
XLogP3:
2.8
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
3
Exact Mass:
221.084g/mol
Monoisotopic Mass:
221.084g/mol
Topological Polar Surface Area:
40.9A^2
Heavy Atom Count:
17
Formal Charge:
0
Complexity:
308
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


GHS Pictogram:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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