5H-pyrrolo[2,1-c][1,4]benzodiazepine-5,11(10H)-dione

Base Information

• Chemical Name: 5H-pyrrolo[2,1-c][1,4]benzodiazepine-5,11(10H)-dione
• CAS No.: 76447-29-5
• Molecular Formula: C₁₂H₈N₂O₂
• Molecular Weight: 212.208
• NSC Number: 177993
• DSSTox Substance ID: DTXSID40306634
• Nikkaji Number: J824.693I
• Wikidata: Q82053825

Synonyms:76447-29-5;5H-pyrrolo[2,1-c][1,4]benzodiazepine-5,11(10H)-dione;pyrrolo[2,1-c][1,4]benzodiazepine-5,11-dione;5H-pyrrolo[2,1-c][1,4]benzodiazepine-6,11-dione;NSC177993;SCHEMBL375291;DTXSID40306634;VUMOEZLRLXJCIQ-UHFFFAOYSA-N;NSC-177993;5H-pyrrolo [2,1-c] [1,4] benzodiazepin-5,11 -(10H)-dione

Chemical Property of 5H-pyrrolo[2,1-c][1,4]benzodiazepine-5,11(10H)-dione

Chemical Property:

• Vapor Pressure: 0.0357mmHg at 25°C
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 212.058577502
• Heavy Atom Count: 16
• Complexity: 329

Purity/Quality:

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MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C(=O)N3C=CC=C3C(=O)N2

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