3-Chloro-4-hydroxy-2-methyl-5-[2-(2,4-di-tert-pentylphenoxy)butyrylamino]phenoxyacetic acid methyl ester

Base Information

• Chemical Name: 3-Chloro-4-hydroxy-2-methyl-5-[2-(2,4-di-tert-pentylphenoxy)butyrylamino]phenoxyacetic acid methyl ester
• CAS No.: 72828-81-0
• Molecular Formula: C30H42ClNO6
• Molecular Weight: 548.11
• DSSTox Substance ID: DTXSID70888271
• Nikkaji Number: J31.007G
• Mol file: 72828-81-0.mol

Synonyms:72828-81-0;SCHEMBL10715681;DTXSID70888271;PRZCTPIHLBDTIE-UHFFFAOYSA-N;3-Chloro-4-hydroxy-2-methyl-5-[2-(2,4-di-tert-pentylphenoxy)butyrylamino]phenoxyacetic acid methyl ester

Chemical Property of 3-Chloro-4-hydroxy-2-methyl-5-[2-(2,4-di-tert-pentylphenoxy)butyrylamino]phenoxyacetic acid methyl ester

Chemical Property:

• Vapor Pressure: 6.97E-17mmHg at 25°C
• Boiling Point: 638.2°C at 760 mmHg
• Flash Point: 339.8°C
• PSA: 94.09000
• Density: 1.147g/cm³
• LogP: 7.15010
• XLogP3: 8.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 13
• Exact Mass: 547.2700658
• Heavy Atom Count: 38
• Complexity: 774

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCC(C(=O)NC1=CC(=C(C(=C1O)Cl)C)OCC(=O)OC)OC2=C(C=C(C=C2)C(C)(C)CC)C(C)(C)CC