2H-1,2,4-Benzoxadiazine-3-carboxylic acid, 7-chloro-, ethyl ester

Base Information

• Chemical Name: 2H-1,2,4-Benzoxadiazine-3-carboxylic acid, 7-chloro-, ethyl ester
• CAS No.: 58696-59-6
• Molecular Formula: C10H9ClN2O3
• Molecular Weight: 240.64300
• DSSTox Substance ID: DTXSID80487097
• Wikidata: Q82328979

Synonyms:58696-59-6;2H-1,2,4-Benzoxadiazine-3-carboxylic acid, 7-chloro-, ethyl ester;DTXSID80487097

Chemical Property of 2H-1,2,4-Benzoxadiazine-3-carboxylic acid, 7-chloro-, ethyl ester

Chemical Property:

• Melting Point: 133-134 °C (decomp)
• Boiling Point: 351.5±44.0 °C(Predicted)
• PSA: 59.92000
• Density: 1.46±0.1 g/cm3(Predicted)
• LogP: 1.59450
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 240.0301698
• Heavy Atom Count: 16
• Complexity: 308

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=NC2=C(C=C(C=C2)Cl)ON1

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