1-(2-Chloro-6-fluorophenyl)cyclohexanecarboxylic acid

Base Information

• Chemical Name: 1-(2-Chloro-6-fluorophenyl)cyclohexanecarboxylic acid
• CAS No.: 214263-04-4
• Molecular Formula: C13H13ClFO2
• Molecular Weight: 256.55
• DSSTox Substance ID: DTXSID20361463
• Wikidata: Q82143803
• Mol file: 214263-04-4.mol

Synonyms:214263-04-4;1-(2-chloro-6-fluorophenyl)cyclohexanecarboxylic acid;1-(2-chloro-6-fluorophenyl)cyclohexane-1-carboxylic acid;1-(2-CHLORO-6-FLUOROPHENYL)CYCLOHEXANECARBOXYLIC ACID, 97;starbld0018371;SCHEMBL4813224;DTXSID20361463;AKOS009266130;AS-70415;CS-0357639;C80017

Chemical Property of 1-(2-Chloro-6-fluorophenyl)cyclohexanecarboxylic acid

Chemical Property:

• Appearance/Colour: white crystalline powder
• Vapor Pressure: 1.54E-06mmHg at 25°C
• Melting Point: 128 °C
• Boiling Point: 382.6 °C at 760 mmHg
• PKA: 3.97±0.20(Predicted)
• Flash Point: 185.2 °C
• PSA: 37.30000
• Density: 1.1996 (estimate)
• LogP: 3.76560
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 256.0666355
• Heavy Atom Count: 17
• Complexity: 289

Purity/Quality:

99% ^*data from raw suppliers

CYCLOHEXANECARBOXYLICACID,1-(2-CHLORO-6-FLUOROPHENYL)- 95 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC(CC1)(C2=C(C=CC=C2Cl)F)C(=O)O