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81654-47-9 | Acetamide, 2,2,2-trifluoro-N-[2-(4-methoxyphenyl)ethyl]-
CAS No: 81654-47-9 Catalog No: AG005JFD MDL No:
Product Description
Catalog Number:
AG005JFD
Chemical Name:
Acetamide, 2,2,2-trifluoro-N-[2-(4-methoxyphenyl)ethyl]-
CAS Number:
81654-47-9
Molecular Formula:
C11H12F3NO2
Molecular Weight:
247.2137
IUPAC Name:
2,2,2-trifluoro-N-[2-(4-methoxyphenyl)ethyl]acetamide
InChI:
InChI=1S/C11H12F3NO2/c1-17-9-4-2-8(3-5-9)6-7-15-10(16)11(12,13)14/h2-5H,6-7H2,1H3,(H,15,16)
InChI Key:
WRLCLLXPCZJIIH-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)CCNC(=O)C(F)(F)F
Properties
Complexity:
248
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.082g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
247.217g/mol
Monoisotopic Mass:
247.082g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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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