(3-{2-[(4-Bromobenzene-1-sulfonyl)amino]ethyl}phenoxy)acetic acid

Base Information

• Chemical Name: (3-{2-[(4-Bromobenzene-1-sulfonyl)amino]ethyl}phenoxy)acetic acid
• CAS No.: 111758-22-6
• Molecular Formula: C16H16BrNO5S
• DSSTox Substance ID: DTXSID90550564
• Wikidata: Q82429977
• Mol file: 111758-22-6.mol

Synonyms:111758-22-6;SCHEMBL9128686;DTXSID90550564;(3-{2-[(4-Bromobenzene-1-sulfonyl)amino]ethyl}phenoxy)acetic acid

Chemical Property of (3-{2-[(4-Bromobenzene-1-sulfonyl)amino]ethyl}phenoxy)acetic acid

Chemical Property:

• XLogP3: 3.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 8
• Exact Mass: 412.99326
• Heavy Atom Count: 24
• Complexity: 499

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)OCC(=O)O)CCNS(=O)(=O)C2=CC=C(C=C2)Br