(2S)-3-(4-chlorophenoxy)propane-1,2-diol

Base Information

• Chemical Name: (2S)-3-(4-chlorophenoxy)propane-1,2-diol
• CAS No.: 80117-05-1
• Molecular Formula: C9H11ClO3
• UNII: A2WHY8L93S
• DSSTox Substance ID: DTXSID70426117
• Nikkaji Number: J575.519K
• Wikidata: Q27126733
• Metabolomics Workbench ID: 60640
• Mol file: 80117-05-1.mol

Synonyms:(S)-chlorphenesin;Chlorphenesin, (S)-;(2S)-3-(4-chlorophenoxy)propane-1,2-diol;A2WHY8L93S;80117-05-1;UNII-A2WHY8L93S;1,2-Propanediol, 3-(4-chlorophenoxy)-, (2S)-;(S)-glycerol alpha-p-chlorophenyl ether;(S)-p-chlorophenyl-alpha-glyceryl ether;(2S)-3-(4-chlorophenoxy)-1,2-propanediol;(2S)-3-(p-chlorophenoxy)-1,2-propanediol;(2S)-3-(p-chlorophenoxy)propane-1,2-diol;CHEBI:59480;DTXSID70426117;(S)-3-(4-Chlorophenoxy)-1,2-propanediol;Q27126733

Chemical Property of (2S)-3-(4-chlorophenoxy)propane-1,2-diol

Chemical Property:

• XLogP3: 1.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 202.0396719
• Heavy Atom Count: 13
• Complexity: 135

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC(=CC=C1OCC(CO)O)Cl
• Isomeric SMILES: C1=CC(=CC=C1OC[C@H](CO)O)Cl