2-Chloro-4-(4-methylthiophen-2-yl)benzoic acid

Base Information

• Chemical Name: 2-Chloro-4-(4-methylthiophen-2-yl)benzoic acid
• CAS No.: 1261900-69-9
• Molecular Formula: C14H11ClO2S
• Molecular Weight: 278.75394
• DSSTox Substance ID: DTXSID20703147
• Wikidata: Q82635228
• Mol file: 1261900-69-9.mol

Synonyms:2-chloro-4-(4-methylthiophen-2-yl)benzoic acid;DTXSID20703147

Chemical Property of 2-Chloro-4-(4-methylthiophen-2-yl)benzoic acid

Chemical Property:

• Boiling Point: 446.4±40.0 °C(Predicted)
• PKA: 3.02±0.25(Predicted)
• PSA: 65.54000
• Density: 1.38±0.1 g/cm3(Predicted)
• LogP: 4.07510
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 252.0011784
• Heavy Atom Count: 16
• Complexity: 272

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

2-Chloro-4-(4-methylthiophenyl)benzoicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CSC(=C1)C2=CC(=C(C=C2)C(=O)O)Cl

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