3-{[3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl}benzoic acid

Base Information

• Chemical Name: 3-{[3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl}benzoic acid
• CAS No.: 1004643-62-2
• Molecular Formula: C12H9F3N2O2
• Molecular Weight: 270.21
• European Community (EC) Number: 840-951-6
• DSSTox Substance ID: DTXSID601189154
• Mol file: 1004643-62-2.mol

Synonyms:1004643-62-2;3-{[3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl}benzoic acid;3-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]benzoic Acid;3-([3-(Trifluoromethyl)-1H-pyrazol-1-yl]methyl)benzoic acid;MFCD04970075;3-((3-(Trifluoromethyl)-1H-pyrazol-1-yl)methyl)benzoic acid;3-[[3-(Trifluoromethyl)-1H-pyrazol-1-yl]methyl]benzoic acid;DTXSID601189154;BBL040004;STK349704;AKOS000310554;CS-0240716;EN300-229785;Z445223508

Chemical Property of 3-{[3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl}benzoic acid

Chemical Property:

• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 270.06161202
• Heavy Atom Count: 19
• Complexity: 335

Purity/Quality:

3-((3-(Trifluoromethyl)-1H-pyrazol-1-yl)methyl)benzoicacid 97% ^*data from reagent suppliers

Safty Information:

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MSDS Files:

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)C(=O)O)CN2C=CC(=N2)C(F)(F)F

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