5-Acetamido-1-amino-4-bromo-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid

Base Information

• Chemical Name: 5-Acetamido-1-amino-4-bromo-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid
• CAS No.: 86277-89-6
• Molecular Formula: C16H11 Br N2 O6 S . Na
• Molecular Weight: 439.23734
• DSSTox Substance ID: DTXSID70600612
• Wikidata: Q82496778
• Mol file: 86277-89-6.mol

Synonyms:86277-89-6;5-Acetamido-1-amino-4-bromo-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid;5-acetamido-1-amino-4-bromo-9,10-dioxoanthracene-2-sulfonic acid;SCHEMBL10488018;DTXSID70600612;1-AMINO-4-BROMO-5-ACETAMIDO-2-ANTHRAQUINONESULFONIC ACID

Chemical Property of 5-Acetamido-1-amino-4-bromo-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid

Chemical Property:

• PSA: 152.01000
• LogP: 3.74680
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 2
• Exact Mass: 437.95212
• Heavy Atom Count: 26
• Complexity: 736

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)NC1=CC=CC2=C1C(=O)C3=C(C=C(C(=C3C2=O)N)S(=O)(=O)O)Br