3-[(4-nitro-1H-pyrazol-1-yl)methyl]benzoic acid

Base Information

• Chemical Name: 3-[(4-nitro-1H-pyrazol-1-yl)methyl]benzoic acid
• CAS No.: 514801-16-2
• Molecular Formula: C11H9N3O4
• Molecular Weight: 247.21
• Mol file: 514801-16-2.mol

Synonyms:3-[(4-nitro-1H-pyrazol-1-yl)methyl]benzoic acid;514801-16-2;3-[(4-nitropyrazol-1-yl)methyl]benzoic acid;3-((4-Nitro-1H-pyrazol-1-yl)methyl)benzoic acid;3-({4-nitro-1H-pyrazol-1-yl}methyl)benzoic acid;3-(4-Nitro-pyrazol-1-ylmethyl)-benzoic acid;Oprea1_044598;SCHEMBL13851463;MFCD01114890;AKOS000204851;AKOS025213080;CS-0269076;EN300-83510;3-((4-Nitro-1H-pyrazol-1-yl)methyl)benzoicacid;AK-968/37166211;SR-01000368372;SR-01000368372-1

Chemical Property of 3-[(4-nitro-1H-pyrazol-1-yl)methyl]benzoic acid

Chemical Property:

• XLogP3: 1.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 247.05930578
• Heavy Atom Count: 18
• Complexity: 331

Purity/Quality:

99% ^*data from raw suppliers

3-[(4-Nitro-1H-pyrazol-1-yl)methyl]benzoic acid ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)C(=O)O)CN2C=C(C=N2)[N+](=O)[O-]

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