5-(4-Carboxy-3-fluorophenyl)nicotinic acid

Base Information

• Chemical Name: 5-(4-Carboxy-3-fluorophenyl)nicotinic acid
• CAS No.: 1258613-93-2
• Molecular Formula: C13H8FNO4
• Molecular Weight: 261.2053232
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID40687879
• Wikidata: Q82614770
• Mol file: 1258613-93-2.mol

Synonyms:5-(4-CARBOXY-3-FLUOROPHENYL)NICOTINIC ACID;1258613-93-2;5-(4-carboxy-3-fluorophenyl)pyridine-3-carboxylic acid;5-(4-Carboxy-3-fluorophenyl)nicotinicacid;DTXSID40687879;MFCD18085602;AKOS015999265;BS-19975;CS-0209294;A889916

Chemical Property of 5-(4-Carboxy-3-fluorophenyl)nicotinic acid

Chemical Property:

• PSA: 87.49000
• LogP: 2.28410
• Storage Temp.: 2-8°C
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 261.04373590
• Heavy Atom Count: 19
• Complexity: 363

Purity/Quality:

97% ^*data from raw suppliers

5-(4-Carboxy-3-fluorophenyl)nicotinicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1C2=CC(=CN=C2)C(=O)O)F)C(=O)O

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