Tert-butyl 14-chloro-15-fluoro-12-oxo-2,4,11-triazatetracyclo[11.4.0.02,6.07,11]heptadeca-1(17),3,5,13,15-pentaene-5-carboxylate

Base Information

• Chemical Name: Tert-butyl 14-chloro-15-fluoro-12-oxo-2,4,11-triazatetracyclo[11.4.0.02,6.07,11]heptadeca-1(17),3,5,13,15-pentaene-5-carboxylate
• CAS No.: 136023-17-1
• Molecular Formula: C19H19ClFN3O3
• Molecular Weight: 391.8239
• DSSTox Substance ID: DTXSID00929227
• Nikkaji Number: J572.306J
• ChEMBL ID: CHEMBL51700
• Mol file: 136023-17-1.mol

Synonyms:Ro 16-6127;136023-17-1;CHEMBL51700;DTXSID00929227;Ro-166127;Ro-16-6127;tert-Butyl 8-chloro-7-fluoro-9-oxo-11,12,13,13a-tetrahydro-9H-imidazo[1,5-a]pyrrolo[2,1-c][1,4]benzodiazepine-1-carboxylate

Chemical Property of Tert-butyl 14-chloro-15-fluoro-12-oxo-2,4,11-triazatetracyclo[11.4.0.02,6.07,11]heptadeca-1(17),3,5,13,15-pentaene-5-carboxylate

Chemical Property:

• Vapor Pressure: 1.1E-13mmHg at 25°C
• Boiling Point: 585.3°Cat760mmHg
• Flash Point: 307.8°C
• Density: 1.46g/cm³
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 391.1098973
• Heavy Atom Count: 27
• Complexity: 628

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)C1=C2C3CCCN3C(=O)C4=C(N2C=N1)C=CC(=C4Cl)F