3-Fluoromethoxy-4,5-dimethoxy-benzoic acid methyl ester

Base Information

• Chemical Name: 3-Fluoromethoxy-4,5-dimethoxy-benzoic acid methyl ester
• CAS No.: 864684-84-4
• Molecular Formula: C11H13 F O5
• Molecular Weight: 244.2163232
• DSSTox Substance ID: DTXSID80592271
• Wikidata: Q82486300
• Mol file: 864684-84-4.mol

Synonyms:864684-84-4;3-FLUOROMETHOXY-4,5-DIMETHOXY-BENZOIC ACID METHYL ESTER;methyl 3-(fluoromethoxy)-4,5-dimethoxybenzoate;3-fluoromethoxy-4,5-dimethoxybenzoic acid methyl ester;DTXSID80592271;AKOS015890161;DB-357086;A841654;methyl 3-(fluoranylmethoxy)-4,5-dimethoxy-benzoate;3-(fluoromethoxy)-4,5-dimethoxybenzoic acid methyl ester

Chemical Property of 3-Fluoromethoxy-4,5-dimethoxy-benzoic acid methyl ester

Chemical Property:

• PSA: 53.99000
• LogP: 1.79620
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 244.07470167
• Heavy Atom Count: 17
• Complexity: 248

Purity/Quality:

97% ^*data from raw suppliers

3-FLUOROMETHOXY-4,5-DIMETHOXY-BENZOIC ACID METHYL ESTER 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C(=CC(=C1)C(=O)OC)OCF)OC