1-ethyl-6-fluoro-7-[(2E)-2-[(2-nitrophenyl)methylidene]hydrazinyl]-4-oxoquinoline-3-carboxylic acid

Base Information

• Chemical Name: 1-ethyl-6-fluoro-7-[(2E)-2-[(2-nitrophenyl)methylidene]hydrazinyl]-4-oxoquinoline-3-carboxylic acid
• CAS No.: 5954-02-9
• Molecular Formula: C19H15FN4O5
• Molecular Weight: 398.3446
• DSSTox Substance ID: DTXSID70417262
• ChEMBL ID: CHEMBL3196980

Synonyms:5954-02-9;1-ethyl-6-fluoro-7-[(2E)-2-[(2-nitrophenyl)methylidene]hydrazinyl]-4-oxoquinoline-3-carboxylic acid;AC1NT5DT;CHEMBL3196980;DTXSID70417262;CCG-13428;BIM-0019240.P001;SR-01000224222;SR-01000224222-1

Chemical Property of 1-ethyl-6-fluoro-7-[(2E)-2-[(2-nitrophenyl)methylidene]hydrazinyl]-4-oxoquinoline-3-carboxylic acid

Chemical Property:

• Vapor Pressure: 1.17E-15mmHg at 25°C
• Boiling Point: 608.4°Cat760mmHg
• Flash Point: 321.8°C
• Density: 1.46g/cm³
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 5
• Exact Mass: 398.10264775
• Heavy Atom Count: 29
• Complexity: 722

Purity/Quality:

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN1C=C(C(=O)C2=CC(=C(C=C21)NN=CC3=CC=CC=C3[N+](=O)[O-])F)C(=O)O
• Isomeric SMILES: CCN1C=C(C(=O)C2=CC(=C(C=C21)N/N=C/C3=CC=CC=C3[N+](=O)[O-])F)C(=O)O

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