3-(4-Bromophenyl)-1-O-tolyl-1H-pyrazole-5-carboxylic acid

Base Information

• Chemical Name: 3-(4-Bromophenyl)-1-O-tolyl-1H-pyrazole-5-carboxylic acid
• CAS No.: 618102-67-3
• Molecular Formula: C17H13BrN2O2
• Molecular Weight: 357.2
• European Community (EC) Number: 648-858-0
• DSSTox Substance ID: DTXSID601165293
• Mol file: 618102-67-3.mol

Synonyms:618102-67-3;3-(4-BROMOPHENYL)-1-O-TOLYL-1H-PYRAZOLE-5-CARBOXYLIC ACID;3-(4-Bromophenyl)-1-(o-tolyl)-1H-pyrazole-5-carboxylic acid;3-(4-bromophenyl)-1-(2-methylphenyl)-1H-pyrazole-5-carboxylic acid;DTXSID601165293;AKOS024412231

Chemical Property of 3-(4-Bromophenyl)-1-O-tolyl-1H-pyrazole-5-carboxylic acid

Chemical Property:

• PKA: 3.17±0.36(Predicted)
• XLogP3: 4.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 356.01604
• Heavy Atom Count: 22
• Complexity: 398

Purity/Quality:

99% ^*data from raw suppliers

3-(4-BROMOPHENYL)-1-ORTHO-TOLYL-1H-PYRAZOLE-5-CARBOXYLIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

Useful:

• Canonical SMILES: CC1=CC=CC=C1N2C(=CC(=N2)C3=CC=C(C=C3)Br)C(=O)O

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