3-Fluoro-4-(3-nitrophenyl)benzoic acid

Base Information

• Chemical Name: 3-Fluoro-4-(3-nitrophenyl)benzoic acid
• CAS No.: 1261964-43-5
• Molecular Formula: C13H8FNO4
• Molecular Weight: 261.2053232
• Hs Code.: 2916399090
• DSSTox Substance ID: DTXSID80681412
• Wikidata: Q82605428
• Mol file: 1261964-43-5.mol

Synonyms:1261964-43-5;3-FLUORO-4-(3-NITROPHENYL)BENZOIC ACID;2-Fluoro-3'-nitro-[1,1'-biphenyl]-4-carboxylic acid;2-Fluoro-3'-nitro-[1,1'-biphenyl]-4-carboxylicacid;DTXSID80681412;MFCD16509419;AKOS010972075;BS-20314;CS-0209731;2-Fluoro-3'-nitro[1,1'-biphenyl]-4-carboxylic acid

Chemical Property of 3-Fluoro-4-(3-nitrophenyl)benzoic acid

Chemical Property:

• Boiling Point: 437.4±40.0 °C(Predicted)
• PKA: 3.66±0.10(Predicted)
• PSA: 83.12000
• Density: 1.425±0.06 g/cm3(Predicted)
• LogP: 3.62230
• XLogP3: 3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 261.04373590
• Heavy Atom Count: 19
• Complexity: 357

Purity/Quality:

99% ^*data from raw suppliers

3-Fluoro-4-(3-nitrophenyl)benzoicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)[N+](=O)[O-])C2=C(C=C(C=C2)C(=O)O)F