Bastadin 8

Base Information

• Chemical Name: Bastadin 8
• CAS No.: 127709-45-9
• Molecular Formula: C34H27 Br5 N4 O9
• Molecular Weight: 1035.12
• Nikkaji Number: J329.227D
• Wikidata: Q105340371
• Mol file: 127709-45-9.mol

Synonyms:bastadin 8

Chemical Property of Bastadin 8

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 209.51000
• Density: 2.02g/cm³
• LogP: 8.31420
• XLogP3: 8.4
• Hydrogen Bond Donor Count: 7
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 0
• Exact Mass: 1033.76539
• Heavy Atom Count: 52
• Complexity: 1280

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CNC(=O)C(=NO)CC2=CC(=C(C(=C2)Br)OC3=C(C(=CC(=C3)CC(=NO)C(=O)NCC(C4=CC(=C(C=C4)OC5=C(C(=CC1=C5)Br)O)Br)O)Br)O)Br
• Isomeric SMILES: C1CNC(=O)/C(=N\O)/CC2=CC(=C(C(=C2)Br)OC3=C(C(=CC(=C3)C/C(=N/O)/C(=O)NC[C@H](C4=CC(=C(C=C4)OC5=C(C(=CC1=C5)Br)O)Br)O)Br)O)Br