2-[5-methyl-4-nitro-3-(trifluoromethyl)pyrazol-1-yl]acetic Acid

Base Information

• Chemical Name: 2-[5-methyl-4-nitro-3-(trifluoromethyl)pyrazol-1-yl]acetic Acid
• CAS No.: 1001754-77-3
• Molecular Formula: C7H6F3N3O4
• Molecular Weight: 253.14
• DSSTox Substance ID: DTXSID601177983
• Mol file: 1001754-77-3.mol

Synonyms:1001754-77-3;2-[5-methyl-4-nitro-3-(trifluoromethyl)pyrazol-1-yl]acetic Acid;2-[5-methyl-4-nitro-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetic acid;(5-Methyl-4-nitro-3-trifluoromethyl-pyrazol-1-yl)-acetic acid;MFCD00297973;2-(5-Methyl-4-nitro-3-(trifluoromethyl)-1H-pyrazol-1-yl)acetic acid;[5-methyl-4-nitro-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetic acid;DTXSID601177983;BQB75477;BBL039388;STK315336;AKOS000309391;AKOS015922539;CS-0279478;EN300-83698;5-Methyl-4-nitro-3-(trifluoromethyl)-1H-pyrazole-1-acetic acid;2-(5-Methyl-4-nitro-3-(trifluoromethyl)-1H-pyrazol-1-yl)aceticacid

Chemical Property of 2-[5-methyl-4-nitro-3-(trifluoromethyl)pyrazol-1-yl]acetic Acid

Chemical Property:

• XLogP3: 1.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 2
• Exact Mass: 253.03104017
• Heavy Atom Count: 17
• Complexity: 329

Purity/Quality:

2-(5-Methyl-4-nitro-3-(trifluoromethyl)-1H-pyrazol-1-yl)aceticacid 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

Useful:

• Canonical SMILES: CC1=C(C(=NN1CC(=O)O)C(F)(F)F)[N+](=O)[O-]