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Home > Fluorides > 155814-20-3
155814-20-3 | 2-Propenoic acid, 3-[3,5-bis(trifluoromethyl)phenyl]-, (2E)-
CAS No: 155814-20-3 Catalog No: AG001O85 MDL No:MFCD00799487
Product Description
Catalog Number:
AG001O85
Chemical Name:
2-Propenoic acid, 3-[3,5-bis(trifluoromethyl)phenyl]-, (2E)-
CAS Number:
155814-20-3
Molecular Formula:
C11H6F6O2
Molecular Weight:
284.1546
MDL Number:
MFCD00799487
IUPAC Name:
(E)-3-[3,5-bis(trifluoromethyl)phenyl]prop-2-enoic acid
InChI:
InChI=1S/C11H6F6O2/c12-10(13,14)7-3-6(1-2-9(18)19)4-8(5-7)11(15,16)17/h1-5H,(H,18,19)/b2-1+
InChI Key:
IZKCKOPHMWHBHR-OWOJBTEDSA-N
SMILES:
OC(=O)/C=C/c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Properties
Complexity:
335
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
284.027g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
284.157g/mol
Monoisotopic Mass:
284.027g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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