2-(5-Chlorobenzo[d]isoxazol-3-yl)acetic acid

Base Information

• Chemical Name: 2-(5-Chlorobenzo[d]isoxazol-3-yl)acetic acid
• CAS No.: 59899-91-1
• Molecular Formula: C9H6ClNO3
• European Community (EC) Number: 892-988-2
• DSSTox Substance ID: DTXSID70574268
• Wikidata: Q82463254
• Mol file: 59899-91-1.mol

Synonyms:59899-91-1;2-(5-chlorobenzo[d]isoxazol-3-yl)acetic acid;2-(5-chloro-1,2-benzoxazol-3-yl)acetic acid;SCHEMBL9688656;DTXSID70574268;AKOS022205880;(5-Chloro-1,2-benzoxazol-3-yl)acetic acid;2-(5-chlorobenzo[d]isoxazol-3-yl)aceticacid;EN300-368090;F1967-2397

Chemical Property of 2-(5-Chlorobenzo[d]isoxazol-3-yl)acetic acid

Chemical Property:

• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 211.0036207
• Heavy Atom Count: 14
• Complexity: 236

Purity/Quality:

NLT 98% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C=C1Cl)C(=NO2)CC(=O)O