2-Propenoic acid, 3-(2-chlorophenyl)-2-cyano-, methyl ester, (2E)-


Chemical Name: 2-Propenoic acid, 3-(2-chlorophenyl)-2-cyano-, methyl ester, (2E)-
CAS Number: 54440-98-1
Product Number: AG01C490(AGN-PC-0OC1ZM)
Synonyms:
MDL No:
Molecular Formula: C11H8ClNO2
Molecular Weight: 221.63972

Identification/Properties


Computed Properties
Molecular Weight:
221.64g/mol
XLogP3:
2.8
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
3
Exact Mass:
221.024g/mol
Monoisotopic Mass:
221.024g/mol
Topological Polar Surface Area:
50.1A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
316
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


NMR Spectrum


Other Analytical Data


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