3-Butoxy-4-chlorobenzoic acid

Base Information

• Chemical Name: 3-Butoxy-4-chlorobenzoic acid
• CAS No.: 1280786-97-1
• Molecular Formula: C11H13ClO3
• Molecular Weight: 228.67212
• Hs Code.: 2918990090
• DSSTox Substance ID: DTXSID60681854
• Wikidata: Q82606030
• Mol file: 1280786-97-1.mol

Synonyms:3-BUTOXY-4-CHLOROBENZOIC ACID;1280786-97-1;3-Butoxy-4-chlorobenzoicacid;SCHEMBL17740328;DTXSID60681854;MFCD18434437;AKOS015888558;BS-20603

Chemical Property of 3-Butoxy-4-chlorobenzoic acid

Chemical Property:

• PSA: 46.53000
• LogP: 3.21710
• Storage Temp.: Room temperature.
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 228.0553220
• Heavy Atom Count: 15
• Complexity: 208

Purity/Quality:

≥95% ^*data from raw suppliers

3-Butoxy-4-chlorobenzoicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCOC1=C(C=CC(=C1)C(=O)O)Cl