2-Propenoic acid, 3-[4-(trifluoromethyl)phenyl]-, (2E)-


Chemical Name: 2-Propenoic acid, 3-[4-(trifluoromethyl)phenyl]-, (2E)-
CAS Number: 16642-92-5
Product Number: AG001WQH(AGN-PC-0O4Q5H)
Synonyms:
MDL No: MFCD00002696
Molecular Formula: C10H7F3O2
Molecular Weight: 216.1566

Identification/Properties


Computed Properties
Molecular Weight:
216.159g/mol
XLogP3:
3
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
2
Exact Mass:
216.04g/mol
Monoisotopic Mass:
216.04g/mol
Topological Polar Surface Area:
37.3A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
250
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:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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