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16642-92-5 | 2-Propenoic acid, 3-[4-(trifluoromethyl)phenyl]-, (2E)-
CAS No: 16642-92-5 Catalog No: AG001WQH MDL No:MFCD00002696
Product Description
Catalog Number:
AG001WQH
Chemical Name:
2-Propenoic acid, 3-[4-(trifluoromethyl)phenyl]-, (2E)-
CAS Number:
16642-92-5
Molecular Formula:
C10H7F3O2
Molecular Weight:
216.1566
MDL Number:
MFCD00002696
IUPAC Name:
(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoic acid
InChI:
InChI=1S/C10H7F3O2/c11-10(12,13)8-4-1-7(2-5-8)3-6-9(14)15/h1-6H,(H,14,15)/b6-3+
InChI Key:
ANRMAUMHJREENI-ZZXKWVIFSA-N
SMILES:
OC(=O)/C=C/c1ccc(cc1)C(F)(F)F
Properties
Complexity:
250
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
216.04g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
216.159g/mol
Monoisotopic Mass:
216.04g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
Literature
| Title | Journal |
|---|---|
| Synthesis and anticancer activity of 4β-alkylamidochalcone and 4β-cinnamido linked podophyllotoxins as apoptotic inducing agents. | European journal of medicinal chemistry 20120101 |
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