2-Propenoic acid, 2-cyano-3-(4-fluorophenyl)-, ethyl ester


Chemical Name: 2-Propenoic acid, 2-cyano-3-(4-fluorophenyl)-, ethyl ester
CAS Number: 18861-57-9
Product Number: AG003QHQ(AGN-PC-0JLWEP)
Synonyms:
MDL No:
Molecular Formula: C12H10FNO2
Molecular Weight: 219.2117032

Identification/Properties


Properties
MP:
96-100 °C(lit.)
BP:
330.7±32.0 °C(Predicted)
Storage:
2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
219.215g/mol
XLogP3:
2.5
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
4
Exact Mass:
219.07g/mol
Monoisotopic Mass:
219.07g/mol
Topological Polar Surface Area:
50.1A^2
Heavy Atom Count:
16
Formal Charge:
0
Complexity:
321
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


NMR Spectrum


Other Analytical Data


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