3-[4-[(2-Bromo-4-hydroxy-5-methoxyphenyl)methylene]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]benzoic acid

Base Information

• Chemical Name: 3-[4-[(2-Bromo-4-hydroxy-5-methoxyphenyl)methylene]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]benzoic acid
• CAS No.: 354547-72-1
• Molecular Formula: C19H15BrN2O5
• Molecular Weight: 431.2
• DSSTox Substance ID: DTXSID601109499
• Mol file: 354547-72-1.mol

Synonyms:DTXSID601109499;3-[4-[(2-Bromo-4-hydroxy-5-methoxyphenyl)methylene]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]benzoic acid;354547-72-1

Chemical Property of 3-[4-[(2-Bromo-4-hydroxy-5-methoxyphenyl)methylene]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]benzoic acid

Chemical Property:

• XLogP3: 3.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 430.01643
• Heavy Atom Count: 27
• Complexity: 665

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=NN(C(=O)C1=CC2=CC(=C(C=C2Br)O)OC)C3=CC=CC(=C3)C(=O)O