AC1MHQ6S structure

AC1MHQ6S

2-[6,8-dichloro-4-oxo-2-[3-(trifluoromethyl)phenyl]quinazolin-3-yl]acetic acid

Also Known As: 5-24-04-00368 (Beilstein Handbook Reference)|3(4H)-Quinazolineacetic acid, 6,8-dichloro-4-oxo-2-(alpha,alpha,alpha-trifluoro-m-tolyl)-|6,8-Dichloro-4-oxo-2-(m-(alpha-trifluoro)tolyl)-3(4H)-quinazolineacetic acid|6,8-Dichloro-4-oxo-2-(m-trifluoromethylphenyl)-3(4H)-quinazolineacetic acid|{6,8-Dichloro-4-oxo-2-[3-(trifluoromethyl)phenyl]quinazolin-3(4H)-yl}acetic acid|2-[6,8-dichloro-4-oxo-2-[3-(trifluoromethyl)phenyl]quinazolin-3-yl]acetic acid|6,8-Dichloro-4-oxo-2-[3-(trifluoromethyl)phenyl]quinazoline-3(4H)-acetic acid|2-{6,8-dichloro-4-oxo-2-[3-(trifluoromethyl)phenyl]-3,4-dihydroquinazolin-3-yl}acetic acid

CAS: 73013-18-0
Molecular Formula C17H9Cl2F3N2O3
Molecular Weight 415.99423 g/mol
LogP 4.4737
Topological Polar Surface Area 72.19 Ų
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 3
Rotatable Bonds 3
Exact Mass 415.99423
Monoisotopic Mass 415.99423
Heavy Atoms 27
Complexity 1126.8323

Chemical Identifiers

CAS Number 73013-18-0
SMILES C1=CC(=CC(=C1)C(F)(F)F)C2=NC3=C(C=C(C=C3Cl)Cl)C(=O)N2CC(=O)O

Product Overview

AC1MHQ6S (CAS 73013-18-0), with molecular formula C17H9Cl2F3N2O3 and molecular weight 415.99423 g/mol. IUPAC: 2-[6,8-dichloro-4-oxo-2-[3-(trifluoromethyl)phenyl]quinazolin-3-yl]acetic 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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