methyl 3-(2-cyanophenyl)benzoate


Chemical Name: methyl 3-(2-cyanophenyl)benzoate
CAS Number: 168618-65-3
Product Number: AG001Y6W(AGN-PC-0K4N31)
Synonyms:
MDL No:
Molecular Formula: C15H11NO2
Molecular Weight: 237.2533

Identification/Properties


Computed Properties
Molecular Weight:
237.258g/mol
XLogP3:
3.1
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
3
Exact Mass:
237.079g/mol
Monoisotopic Mass:
237.079g/mol
Topological Polar Surface Area:
50.1A^2
Heavy Atom Count:
18
Formal Charge:
0
Complexity:
344
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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