2-Butenamide, 2-cyano-3-hydroxy-N-[4-(trifluoromethyl)phenyl]-, (2Z)-


Chemical Name: 2-Butenamide, 2-cyano-3-hydroxy-N-[4-(trifluoromethyl)phenyl]-, (2Z)-
CAS Number: 163451-81-8
Product Number: AG001U44(AGN-PC-0O4O0B)
Synonyms:
MDL No:
Molecular Formula: C12H9F3N2O2
Molecular Weight: 270.2073

Identification/Properties


Computed Properties
Molecular Weight:
270.211g/mol
XLogP3:
3.3
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
2
Exact Mass:
270.062g/mol
Monoisotopic Mass:
270.062g/mol
Topological Polar Surface Area:
73.1A^2
Heavy Atom Count:
19
Formal Charge:
0
Complexity:
426
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#:
-
Hazard Statements:
H302
Precautionary Statements:
P280-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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