3-Fluoro-4-morpholinobenzoic acid

Base Information

• Chemical Name: 3-Fluoro-4-morpholinobenzoic acid
• CAS No.: 588708-72-9
• Molecular Formula: C11H12FNO3
• Molecular Weight: 225.21600
• Hs Code.: 2934999090
• European Community (EC) Number: 800-705-0
• DSSTox Substance ID: DTXSID80477736
• Nikkaji Number: J1.900.969F
• Wikidata: Q82310622
• Mol file: 588708-72-9.mol

Synonyms:3-Fluoro-4-morpholinobenzoic acid;588708-72-9;3-FLUORO-4-(4-MORPHOLINYL)BENZOIC ACID;3-fluoro-4-(morpholin-4-yl)benzoic acid;3-fluoro-4-morpholin-4-ylbenzoic acid;MFCD11156507;Benzoic acid, 3-fluoro-4-(4-morpholinyl)-;SCHEMBL2579603;DTXSID80477736;WDOYQIXUKGKGHT-UHFFFAOYSA-N;AMY20284;AKOS000260176;AS-31614;SY006934;CS-0207951;FT-0721492;EN300-71549;3-Fluoro-4-morpholinobenzoic acid, AldrichCPR;Z234897457

Chemical Property of 3-Fluoro-4-morpholinobenzoic acid

Chemical Property:

• Melting Point: 226-227 °C
• Boiling Point: 404.7±45.0 °C(Predicted)
• PKA: 4.36±0.10(Predicted)
• PSA: 49.77000
• Density: 1.328±0.06 g/cm3(Predicted)
• LogP: 1.42550
• Storage Temp.: 2-8°C
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 225.08012141
• Heavy Atom Count: 16
• Complexity: 256

Purity/Quality:

98%min ^*data from raw suppliers

3-Fluoro-4-morpholinobenzoicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1COCCN1C2=C(C=C(C=C2)C(=O)O)F