3-Methoxy-2,4,6-trifluorobenzoic acid

Base Information

• Chemical Name: 3-Methoxy-2,4,6-trifluorobenzoic acid
• CAS No.: 886499-94-1
• Molecular Formula: C8H5 F3 O3
• Molecular Weight: 206.12
• Hs Code.: 2918990090
• European Community (EC) Number: 677-260-2
• DSSTox Substance ID: DTXSID20590695
• Wikidata: Q72486246
• Mol file: 886499-94-1.mol

Synonyms:3-Methoxy-2,4,6-trifluorobenzoic acid;886499-94-1;2,4,6-trifluoro-3-methoxybenzoic acid;SCHEMBL203637;DTXSID20590695;MFCD06660225;3-Methoxy-2,4,6-trifluorobenzoicacid;AKOS015956550;JS-4427;AC-26277;CS-0358960;2,4,6-tris(fluoranyl)-3-methoxy-benzoic acid;E88047;A842815

Chemical Property of 3-Methoxy-2,4,6-trifluorobenzoic acid

Chemical Property:

• Melting Point: 129.8 °C
• Boiling Point: 291°C at 760 mmHg
• PSA: 46.53000
• Density: 1.487g/cm³
• LogP: 1.81070
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 206.01907850
• Heavy Atom Count: 14
• Complexity: 224

Purity/Quality:

99% ^*data from raw suppliers

3-Methoxy-2,4,6-trifluorobenzoic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=C(C(=C1F)C(=O)O)F)F