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398-50-5 | 1,1,1-Trifluoro-3-quinolin-2-yl-propan-2-one
CAS No: 398-50-5 Catalog No: AG01EVST MDL No:
Product Description
Catalog Number:
AG01EVST
Chemical Name:
1,1,1-Trifluoro-3-quinolin-2-yl-propan-2-one
CAS Number:
398-50-5
Molecular Formula:
C12H8F3NO
Molecular Weight:
239.1932
IUPAC Name:
1,1,1-trifluoro-3-quinolin-2-ylpropan-2-one
InChI:
InChI=1S/C12H8F3NO/c13-12(14,15)11(17)7-9-6-5-8-3-1-2-4-10(8)16-9/h1-6H,7H2
InChI Key:
LVPPHTPGIQXDGP-UHFFFAOYSA-N
SMILES:
O=C(C(F)(F)F)Cc1ccc2c(n1)cccc2
Properties
Complexity:
290
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.056g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
239.197g/mol
Monoisotopic Mass:
239.056g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
30A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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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