3-(4-Chloro-pyrazol-1-yl)-2-methyl-propionic acid

Base Information

• Chemical Name: 3-(4-Chloro-pyrazol-1-yl)-2-methyl-propionic acid
• CAS No.: 957301-84-7
• Molecular Formula: C7H9ClN2O2
• Molecular Weight: 188.61
• Hs Code.: 2933199090
• DSSTox Substance ID: DTXSID10424511
• Mol file: 957301-84-7.mol

Synonyms:957301-84-7;3-(4-Chloro-pyrazol-1-yl)-2-methyl-propionic acid;3-(4-chloro-1H-pyrazol-1-yl)-2-methylpropanoic acid;3-(4-chloropyrazol-1-yl)-2-methylpropanoic acid;MFCD04969849;DTXSID10424511;BBL038813;STK312590;AKOS000302463;AKOS016345020;FT-0678773;EN300-83716;3-(4-Chloropyrazol-1-yl)-2-methyl-propanoic acid;3-(4-Chloro-1H-pyrazol-1-yl)-2-methylpropanoicacid;F2169-0845

Chemical Property of 3-(4-Chloro-pyrazol-1-yl)-2-methyl-propionic acid

Chemical Property:

• PSA: 55.12000
• LogP: 1.25720
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 188.0352552
• Heavy Atom Count: 12
• Complexity: 177

Purity/Quality:

97% ^*data from raw suppliers

3-(4-Chloro-pyrazol-1-yl)-2-methyl-propionic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(CN1C=C(C=N1)Cl)C(=O)O