6,11-Dihydro-6-methyl-7-nitro-(1)benzopyrano(2,3-b)(1,5)benzodiazepin-13(5ah)-one

Base Information

• Chemical Name: 6,11-Dihydro-6-methyl-7-nitro-(1)benzopyrano(2,3-b)(1,5)benzodiazepin-13(5ah)-one
• CAS No.: 119707-36-7
• Molecular Formula: C17H13 N3 O4
• Molecular Weight: 323.3028
• DSSTox Substance ID: DTXSID10923074
• Mol file: 119707-36-7.mol

Synonyms:6,11-Dihydro-6-methyl-7-nitro-(1)benzopyrano(2,3-b)(1,5)benzodiazepin-13(5ah)-one;(1)Benzopyrano(2,3-b)(1,5)benzodiazepin-13(5ah)-one, 6,11-dihydro-6-methyl-7-nitro-;119707-36-7;DTXSID10923074;LS-39340;6-Methyl-7-nitro-6,11-dihydro[1]benzopyrano[2,3-b][1,5]benzodiazepin-13(5aH)-one

Chemical Property of 6,11-Dihydro-6-methyl-7-nitro-(1)benzopyrano(2,3-b)(1,5)benzodiazepin-13(5ah)-one

Chemical Property:

• Vapor Pressure: 3.9E-11mmHg at 25°C
• Melting Point: 172 °C
• Boiling Point: 525.5°Cat760mmHg
• PKA: 1.88±0.20(Predicted)
• Flash Point: 271.6°C
• PSA: 87.39000
• Density: 1.49g/cm³
• LogP: 3.66800
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 0
• Exact Mass: 323.09060590
• Heavy Atom Count: 24
• Complexity: 573

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C2C(=CNC3=C1C(=CC=C3)[N+](=O)[O-])C(=O)C4=CC=CC=C4O2