3-[5-(4-Chloro-phenyl)-furan-2-yl]-propionic acid

Base Information

• Chemical Name: 3-[5-(4-Chloro-phenyl)-furan-2-yl]-propionic acid
• CAS No.: 23589-02-8
• Molecular Formula: C13H11 Cl O3
• Molecular Weight: 250.68
• Hs Code.: 2932190090
• European Community (EC) Number: 661-849-6
• DSSTox Substance ID: DTXSID20178235
• Nikkaji Number: J541.790B
• Wikidata: Q83048613
• ChEMBL ID: CHEMBL1584194
• Mol file: 23589-02-8.mol

Synonyms:5-(4-chlorophenyl)-2-furanpropionic acid;F 1067;F-1067

Chemical Property of 3-[5-(4-Chloro-phenyl)-furan-2-yl]-propionic acid

Chemical Property:

• Vapor Pressure: 7.1E-07mmHg at 25°C
• Boiling Point: 392.8°Cat760mmHg
• PKA: 4.47±0.10(Predicted)
• Flash Point: 191.4°C
• PSA: 50.44000
• Density: 1.296g/cm³
• LogP: 3.61720
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 250.0396719
• Heavy Atom Count: 17
• Complexity: 261

Purity/Quality:

98% ^*data from raw suppliers

3-(5-(4-CHLOROPHENYL)-2-FURYL)PROPANOIC ACID Aldrich ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C2=CC=C(O2)CCC(=O)O)Cl