2,3-Dihydro-7-nitro-2-oxo-5-phenyl-1H-1,4-benzodiazepine-3-carboxylic acid

Base Information

• Chemical Name: 2,3-Dihydro-7-nitro-2-oxo-5-phenyl-1H-1,4-benzodiazepine-3-carboxylic acid
• CAS No.: 60676-80-4
• Molecular Formula: C16H11 N3 O5
• Molecular Weight: 325.27564
• Hs Code.: 2933990090
• European Community (EC) Number: 262-372-2
• DSSTox Substance ID: DTXSID90863560
• Nikkaji Number: J268.262A
• Wikipedia: Nitrazepate
• ChEMBL ID: CHEMBL2110637
• Mol file: 60676-80-4.mol

Synonyms:60676-80-4;2,3-Dihydro-7-nitro-2-oxo-5-phenyl-1H-1,4-benzodiazepine-3-carboxylic acid;Nitrazepate;EINECS 262-372-2;C16H11N3O5;7-nitro-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepine-3-carboxylic acid;CHEMBL2110637;SCHEMBL11833501;DTXSID90863560

Chemical Property of 2,3-Dihydro-7-nitro-2-oxo-5-phenyl-1H-1,4-benzodiazepine-3-carboxylic acid

Chemical Property:

• Vapor Pressure: 1.2E-15mmHg at 25°C
• Boiling Point: 608.2°C at 760 mmHg
• Flash Point: 321.7°C
• PSA: 128.07000
• Density: 1.53g/cm³
• LogP: 1.88140
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 325.06987046
• Heavy Atom Count: 24
• Complexity: 565

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=NC(C(=O)NC3=C2C=C(C=C3)[N+](=O)[O-])C(=O)O

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