Bastadin-12

Base Information

• Chemical Name: Bastadin-12
• CAS No.: 134981-78-5
• Molecular Formula: C34H28 Br4 N4 O8
• Molecular Weight: 940.22
• Mol file: 134981-78-5.mol

Synonyms:bastadin 12;bastadin-12

Chemical Property of Bastadin-12

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 189.28000
• Density: 1.87g/cm³
• LogP: 8.06080
• XLogP3: 8.8
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 0
• Exact Mass: 939.85997
• Heavy Atom Count: 50
• Complexity: 1210

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1CNC(=O)C(=NO)CC2=CC(=C(C(=C2)Br)O)OC3=C(C=C(CC(=NO)C(=O)NCCC4=CC(=C(C=C4)OC5=C(C=CC1=C5)O)Br)C=C3Br)Br
• Isomeric SMILES: C1CNC(=O)/C(=N/O)/CC2=CC(=C(C(=C2)Br)O)OC3=C(C=C(C/C(=N/O)/C(=O)NCCC4=CC(=C(C=C4)OC5=C(C=CC1=C5)O)Br)C=C3Br)Br