3-Nitro-4-(1H-pyrazol-1-YL)benzoic acid

Base Information

• Chemical Name: 3-Nitro-4-(1H-pyrazol-1-YL)benzoic acid
• CAS No.: 162848-25-1
• Molecular Formula: C10H7N3O4
• Molecular Weight: 233.183
• Hs Code.: 2933199090
• DSSTox Substance ID: DTXSID80363286
• Wikidata: Q82146905
• ChEMBL ID: CHEMBL1725683
• Mol file: 162848-25-1.mol

Synonyms:162848-25-1;3-NITRO-4-(1H-PYRAZOL-1-YL)BENZOIC ACID;3-Nitro-4-(1-pyrazolyl)benzoic Acid;3-nitro-4-pyrazol-1-ylbenzoic acid;3-nitro-4-(1H-pyrazol-1-yl)benzenecarboxylic acid;MFCD00141982;3-Nitro-4-(1-pyrazolyl)benzoicAcid;Oprea1_003080;MLS000755407;SCHEMBL4254004;CHEMBL1725683;DTXSID80363286;HMS2614O23;AKOS000151259;1G-450S;SMR000337787;SY004891;CS-0155614;FT-0701554;Benzoic acid, 3-nitro-4-(1H-pyrazol-1-yl)-;A882788;3-nitro-4-(1H-pyrazol-1-yl)benzoic acid

Chemical Property of 3-Nitro-4-(1H-pyrazol-1-YL)benzoic acid

Chemical Property:

• Boiling Point: 436.2±40.0 °C(Predicted)
• PKA: 3.34±0.10(Predicted)
• PSA: 100.94000
• Density: 1.53±0.1 g/cm3(Predicted)
• LogP: 2.00190
• Storage Temp.: 2-8°C
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 233.04365571
• Heavy Atom Count: 17
• Complexity: 317

Purity/Quality:

97% ^*data from raw suppliers

3-Nitro-4-(1H-pyrazol-1-yl)benzoicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CN(N=C1)C2=C(C=C(C=C2)C(=O)O)[N+](=O)[O-]