12-((5-Iodo-4-azido-2-hydroxybenzoyl)amino)dodecanoate

Base Information

• Chemical Name: 12-((5-Iodo-4-azido-2-hydroxybenzoyl)amino)dodecanoate
• CAS No.: 125108-86-3
• Molecular Formula: C19H27 I N4 O4
• Molecular Weight: 500.3467
• DSSTox Substance ID: DTXSID60925023
• Wikidata: Q82899261
• Mol file: 125108-86-3.mol

Synonyms:12-((5-iodo-4-azido-2-hydroxybenzoyl)amino)dodecanoate;12-IFA

Chemical Property of 12-((5-Iodo-4-azido-2-hydroxybenzoyl)amino)dodecanoate

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 142.70000
• Density: g/cm³
• LogP: 6.11976
• XLogP3: 6.8
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 14
• Exact Mass: 500.10786
• Heavy Atom Count: 28
• Complexity: 528

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C(=CC(=C1I)N=[N+]=[N-])O)C(=O)NCCCCCCCCCCCC(=O)O
• Isomeric SMILES: C1=C(C(=CC(=C1[125I])N=[N+]=[N-])O)C(=O)NCCCCCCCCCCCC(=O)O