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28668-58-8 | Ethanone, 2-chloro-1-(3,4-dihydro-1(2H)-quinolinyl)-
CAS No: 28668-58-8 Catalog No: AG002W0X MDL No:MFCD00461798
Product Description
Catalog Number:
AG002W0X
Chemical Name:
Ethanone, 2-chloro-1-(3,4-dihydro-1(2H)-quinolinyl)-
CAS Number:
28668-58-8
Molecular Formula:
C11H12ClNO
Molecular Weight:
209.6721
MDL Number:
MFCD00461798
IUPAC Name:
2-chloro-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
InChI:
InChI=1S/C11H12ClNO/c12-8-11(14)13-7-3-5-9-4-1-2-6-10(9)13/h1-2,4,6H,3,5,7-8H2
InChI Key:
CTCLPENRFAHENT-UHFFFAOYSA-N
SMILES:
ClCC(=O)N1CCCc2c1cccc2
NSC Number:
46182
Properties
Complexity:
219
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.061g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
209.673g/mol
Monoisotopic Mass:
209.061g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
Literature
| Title | Journal |
|---|---|
| Discovery of novel N-phenylphenoxyacetamide derivatives as EthR inhibitors and ethionamide boosters by combining high-throughput screening and synthesis. | Journal of medicinal chemistry 20120726 |
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