3-Bromo-4-(hexyloxy)benzoic acid

Base Information

• Chemical Name: 3-Bromo-4-(hexyloxy)benzoic acid
• CAS No.: 158873-84-8
• Molecular Formula: C13H17BrO3
• Molecular Weight: 301.17628
• Hs Code.: 2918990090
• DSSTox Substance ID: DTXSID70406530
• Wikidata: Q82211533
• Mol file: 158873-84-8.mol

Synonyms:3-BROMO-4-(HEXYLOXY)BENZOIC ACID;158873-84-8;3-bromo-4-hexoxybenzoic acid;3-Bromo-4-(hexyloxy)benzoicacid;Benzoic acid, 3-bromo-4-(hexyloxy)-;DTXSID70406530;AKOS000319420;NCGC00326267-01;AB01320876-02

Chemical Property of 3-Bromo-4-(hexyloxy)benzoic acid

Chemical Property:

• PSA: 46.53000
• LogP: 4.10640
• Storage Temp.: 2-8°C
• XLogP3: 4.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 7
• Exact Mass: 300.03611
• Heavy Atom Count: 17
• Complexity: 233

Purity/Quality:

98%min ^*data from raw suppliers

3-Bromo-4-(hexyloxy)benzoic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCOC1=C(C=C(C=C1)C(=O)O)Br