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Home > Fluorides > 690632-15-6
690632-15-6 | 2-[3-(Trifluoromethyl)phenoxy]acetamidoxime, 97%
CAS No: 690632-15-6 Catalog No: AG003G8Y MDL No:MFCD02090466
Product Description
Catalog Number:
AG003G8Y
Chemical Name:
2-[3-(Trifluoromethyl)phenoxy]acetamidoxime, 97%
CAS Number:
690632-15-6
Molecular Formula:
C9H9F3N2O2
Molecular Weight:
234.1752
MDL Number:
MFCD02090466
IUPAC Name:
N'-hydroxy-2-[3-(trifluoromethyl)phenoxy]ethanimidamide
InChI:
InChI=1S/C9H9F3N2O2/c10-9(11,12)6-2-1-3-7(4-6)16-5-8(13)14-15/h1-4,15H,5H2,(H2,13,14)
InChI Key:
SKUBUDPNDFNCOV-UHFFFAOYSA-N
SMILES:
O/N=C(/COc1cccc(c1)C(F)(F)F)\N
Properties
Complexity:
256
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
234.062g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
234.178g/mol
Monoisotopic Mass:
234.062g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
67.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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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