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

Base Information

• Chemical Name: 2H-1,2,4-Benzoxadiazine-3-carboxylic acid, 7-nitro-, ethyl ester
• CAS No.: 58758-35-3
• Molecular Formula: C₁₀H₉N₃O₅
• Molecular Weight: 251.199
• DSSTox Substance ID: DTXSID30482471
• Wikidata: Q82318825

Synonyms:58758-35-3;2H-1,2,4-Benzoxadiazine-3-carboxylic acid, 7-nitro-, ethyl ester;DTXSID30482471

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

Chemical Property:

• XLogP3: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 251.05422040
• Heavy Atom Count: 18
• Complexity: 378

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Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=NC2=C(C=C(C=C2)[N+](=O)[O-])ON1

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