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


Chemical Name: 2-Propenoic acid, 3-[2-(trifluoromethyl)phenyl]-, (2E)-
CAS Number: 98386-81-3
Product Number: AG00IM50(AGN-PC-0OOVX3)
Synonyms:
MDL No:
Molecular Formula: C10H7F3O2
Molecular Weight: 216.1565896

Identification/Properties


Computed Properties
Molecular Weight:
216.159g/mol
XLogP3:
2.8
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:
258
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

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NMR Spectrum


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