4-[[(2,6-Difluorophenyl)sulfonylamino]methyl]benzoic acid

Base Information

• Chemical Name: 4-[[(2,6-Difluorophenyl)sulfonylamino]methyl]benzoic acid
• CAS No.: 690646-12-9
• Molecular Formula: C14H11 F2 N O4 S
• Molecular Weight: 327.30300
• DSSTox Substance ID: DTXSID40357363
• Wikidata: Q82137253
• Mol file: 690646-12-9.mol

Synonyms:690646-12-9;Benzoicacid, 4-[[[(2,6-difluorophenyl)sulfonyl]amino]methyl]-;F3394-1137;4-({[(2,6-difluorophenyl)sulfonyl]amino}methyl)benzoic acid;4-[[(2,6-difluorophenyl)sulfonylamino]methyl]benzoic acid;4-((2,6-difluorophenylsulfonamido)methyl)benzoic acid;DTXSID40357363;AKOS000813270;VU0618391-1;Z45512238

Chemical Property of 4-[[(2,6-Difluorophenyl)sulfonylamino]methyl]benzoic acid

Chemical Property:

• Boiling Point: 513.0±60.0 °C(Predicted)
• PKA: 4.13±0.10(Predicted)
• PSA: 91.85000
• Density: 1.476±0.06 g/cm3(Predicted)
• LogP: 3.61320
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 5
• Exact Mass: 327.03768533
• Heavy Atom Count: 22
• Complexity: 476

Purity/Quality:

99% ^*data from raw suppliers

4-(([(2,6-DIFLUOROPHENYL)SULFONYL]AMINO)METHYL)BENZOIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C(=C1)F)S(=O)(=O)NCC2=CC=C(C=C2)C(=O)O)F