5-(3-Chloro-5-fluorophenyl)-5-oxovaleric acid

Base Information

• Chemical Name: 5-(3-Chloro-5-fluorophenyl)-5-oxovaleric acid
• CAS No.: 845790-48-9
• Molecular Formula: C11H10ClFO3
• Molecular Weight: 244.64
• DSSTox Substance ID: DTXSID80373961
• Wikidata: Q82162384
• Mol file: 845790-48-9.mol

Synonyms:5-(3-Chloro-5-fluorophenyl)-5-oxovaleric acid;845790-48-9;5-(3-chloro-5-fluorophenyl)-5-oxopentanoic acid;5-(3-chloro-5-fluoro-phenyl)-5-oxo-pentanoic Acid;DTXSID80373961;MFCD06201696;AKOS016022714;5-(3-Chloro-5-fluorophenyl)-5-oxovalericacid

Chemical Property of 5-(3-Chloro-5-fluorophenyl)-5-oxovaleric acid

Chemical Property:

• Vapor Pressure: 5.25E-08mmHg at 25°C
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 244.0302500
• Heavy Atom Count: 16
• Complexity: 270

Purity/Quality:

98% ^*data from raw suppliers

5-(3-Chloro-5-fluorophenyl)-5-oxovalericacid 97% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

Useful:

• Canonical SMILES: C1=C(C=C(C=C1F)Cl)C(=O)CCCC(=O)O