4-Bromo-2-butoxybenzoic acid

Base Information

• Chemical Name: 4-Bromo-2-butoxybenzoic acid
• CAS No.: 1095036-68-2
• Molecular Formula: C11H13BrO3
• Molecular Weight: 273.12312
• Hs Code.: 2918990090
• DSSTox Substance ID: DTXSID50681323
• Wikidata: Q82605285
• Mol file: 1095036-68-2.mol

Synonyms:4-BROMO-2-BUTOXYBENZOIC ACID;1095036-68-2;4-Bromo-2-butoxybenzoicacid;SCHEMBL19684688;DTXSID50681323;VTB03668;MFCD11625509;AKOS009410914;BS-25476;CS-0208525

Chemical Property of 4-Bromo-2-butoxybenzoic acid

Chemical Property:

• PSA: 46.53000
• LogP: 3.32620
• Storage Temp.: Room temperature.
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 272.00481
• Heavy Atom Count: 15
• Complexity: 208

Purity/Quality:

≥95% ^*data from raw suppliers

4-Bromo-2-butoxybenzoicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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