4-Chloro-3-[(2-chloro-5-nitrobenzoyl)carbamothioylamino]benzoic acid

Base Information

• Chemical Name: 4-Chloro-3-[(2-chloro-5-nitrobenzoyl)carbamothioylamino]benzoic acid
• CAS No.: 532951-77-2
• Molecular Formula: C15H9Cl2N3O5S
• Molecular Weight: 414.22
• DSSTox Substance ID: DTXSID60403811
• Wikidata: Q82207629
• Mol file: 532951-77-2.mol

Synonyms:532951-77-2;4-chloro-3-[(2-chloro-5-nitrobenzoyl)carbamothioylamino]benzoic acid;DTXSID60403811;AKOS000294198

Chemical Property of 4-Chloro-3-[(2-chloro-5-nitrobenzoyl)carbamothioylamino]benzoic acid

Chemical Property:

• PSA: 166.87000
• LogP: 5.04510
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 412.9639970
• Heavy Atom Count: 26
• Complexity: 588

Purity/Quality:

4-CHLORO-3-[[[(2-CHLORO-5-NITROBENZOYL)AMINO]THIOXOMETHYL]AMINO]-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=C1C(=O)O)NC(=S)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl)Cl