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


Chemical Name: 2-Propenoic acid, 3-(4-chlorophenyl)-2-cyano-, ethyl ester, (2E)-
CAS Number: 2169-68-8
Product Number: AG003Q03(AGN-PC-0O7W4C)
Synonyms:
MDL No:
Molecular Formula: C12H10ClNO2
Molecular Weight: 235.6663

Identification/Properties


Properties
BP:
367.9°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Computed Properties
Molecular Weight:
235.667g/mol
XLogP3:
3.1
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
4
Exact Mass:
235.04g/mol
Monoisotopic Mass:
235.04g/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


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302
Precautionary Statements:
P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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