4-{[(3-Chloro-4-fluorophenyl)sulfonyl]amino}benzoic acid

Base Information

• Chemical Name: 4-{[(3-Chloro-4-fluorophenyl)sulfonyl]amino}benzoic acid
• CAS No.: 612043-04-6
• Molecular Formula: C13H9 Cl F N O4 S
• Molecular Weight: 329.73100
• DSSTox Substance ID: DTXSID40351326
• Wikidata: Q82127658
• Mol file: 612043-04-6.mol

Synonyms:612043-04-6;4-{[(3-chloro-4-fluorophenyl)sulfonyl]amino}benzoic acid;4-(3-chloro-4-fluorobenzenesulfonamido)benzoic acid;4-[(3-chloro-4-fluorophenyl)sulfonylamino]benzoic acid;4-([(3-CHLORO-4-FLUOROPHENYL)SULFONYL]AMINO)BENZOIC ACID;DTXSID40351326;STL307147;AKOS000805762;CS-0230761;EN300-10552;4-(3-chloro-4-fluorobenzenesulfonamido)benzoicacid;SR-01000266355;SR-01000266355-1;Z45512317

Chemical Property of 4-{[(3-Chloro-4-fluorophenyl)sulfonyl]amino}benzoic acid

Chemical Property:

• PSA: 91.85000
• LogP: 4.13190
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 328.9924848
• Heavy Atom Count: 21
• Complexity: 473

Purity/Quality:

99% ^*data from raw suppliers

4-{[(3-Chloro-4-fluorophenyl)sulfonyl]amino}benzoicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C(=O)O)NS(=O)(=O)C2=CC(=C(C=C2)F)Cl

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