AC1MHXLW structure

AC1MHXLW

(S)-[6,8-dichloro-2-(trifluoromethyl)quinolin-4-yl]-[(2S)-piperidin-2-yl]methanol;methanesulfonic acid

Also Known As: WR 226253|C16H17Cl2F3N2O.CH4O3S.1/2H2O|4-Quinolinemethanol, 6,8-dichloro-alpha-(2-piperidyl)-2-(trifluoromethyl)-, methanesulfonate,hemihydrate|C16-H17-Cl2-F3-N2-O.C-H4-O3-S.1/2H2-O|(S)-[6,8-dichloro-2-(trifluoromethyl)quinolin-4-yl]-[(2S)-piperidin-2-yl]methanol; methanesulfonic acid|Methanesulfonic acid--(S)-[6,8-dichloro-2-(trifluoromethyl)quinolin-4-yl][(2S)-piperidin-2-yl]methanol (1/1)

CAS: 76487-48-4
Molecular Formula C17H19Cl2F3N2O4S
Molecular Weight 474.03946 g/mol
LogP 4.2399
Topological Polar Surface Area 99.52 Ų
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 5
Rotatable Bonds 2
Exact Mass 474.03946
Monoisotopic Mass 474.03946
Heavy Atoms 29
Complexity 972.78235

Chemical Identifiers

CAS Number 76487-48-4
SMILES CS(=O)(=O)O.C1CCN[C@@H](C1)[C@H](C2=CC(=NC3=C2C=C(C=C3Cl)Cl)C(F)(F)F)O

Product Overview

AC1MHXLW (CAS 76487-48-4), with molecular formula C17H19Cl2F3N2O4S and molecular weight 474.03946 g/mol. IUPAC: (S)-[6,8-dichloro-2-(trifluoromethyl)quinolin-4-yl]-[(2S)-piperidin-2-yl]methanol;methanesulfonic acid.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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