1-Butanone, 4,4,4-trichloro-3-hydroxy-1-(4-methoxyphenyl)-, (3S)-

Base Information

• Chemical Name: 1-Butanone, 4,4,4-trichloro-3-hydroxy-1-(4-methoxyphenyl)-, (3S)-
• CAS No.: 188854-66-2
• Molecular Formula: C11H11Cl3O3
• DSSTox Substance ID: DTXSID40457377
• Nikkaji Number: J813.321B
• Wikidata: Q82280215
• Mol file: 188854-66-2.mol

Synonyms:188854-66-2;1-Butanone, 4,4,4-trichloro-3-hydroxy-1-(4-methoxyphenyl)-, (3S)-;DTXSID40457377;(S)-beta-Hydroxy-gamma,gamma,gamma-trichloro-4'-methoxybutyrophenone

Chemical Property of 1-Butanone, 4,4,4-trichloro-3-hydroxy-1-(4-methoxyphenyl)-, (3S)-

Chemical Property:

• XLogP3: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 295.977377
• Heavy Atom Count: 17
• Complexity: 257

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)C(=O)CC(C(Cl)(Cl)Cl)O
• Isomeric SMILES: COC1=CC=C(C=C1)C(=O)C[C@@H](C(Cl)(Cl)Cl)O