3-Chloro-5-fluoro-4-methoxybenzoic acid

Base Information

• Chemical Name: 3-Chloro-5-fluoro-4-methoxybenzoic acid
• CAS No.: 886497-22-9
• Molecular Formula: C8H6 Cl F O3
• Molecular Weight: 204.585
• Hs Code.: 2918990090
• DSSTox Substance ID: DTXSID60397524
• Wikidata: Q82198954
• Mol file: 886497-22-9.mol

Synonyms:3-Chloro-5-fluoro-4-methoxybenzoic acid;886497-22-9;3-CHLORO-5-FLUORO-4-METHOXYBENZOICACID;SCHEMBL1457795;DTXSID60397524;FDWCHZNFULHBCP-UHFFFAOYSA-N;MFCD04115864;AKOS015955987;JS-4236;CS-0195378;E89754;EN300-3092000

Chemical Property of 3-Chloro-5-fluoro-4-methoxybenzoic acid

Chemical Property:

• Boiling Point: 306.1±37.0 °C(Predicted)
• PKA: 3.76±0.10(Predicted)
• PSA: 46.53000
• Density: 1.439±0.06 g/cm3(Predicted)
• LogP: 2.18590
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 203.9989499
• Heavy Atom Count: 13
• Complexity: 200

Purity/Quality:

99% ^*data from raw suppliers

3-Chloro-5-fluoro-4-methoxybenzoicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=C(C=C1Cl)C(=O)O)F