4-(1H-Pyrazol-4-yl)benzoic acid

• CAS: 1017794-47-6
• Catalog Number: ACM1017794476-3
• Category: Other Products
• Molecular Weight: 188.18
• Molecular Formula: C10H8N2O2
• Synonyms: 4-Pyrazol-4-ylbenzoic acid
• IUPAC Name: 4-(1H-pyrazol-4-yl)benzoic acid
• Canonical SMILES: C1=CC(=CC=C1C2=CNN=C2)C(=O)O
• InChI: InChI=1S/C10H8N2O2/c13-10(14)8-3-1-7(2-4-8)9-5-11-12-6-9/h1-6H,(H,11,12)(H,13,14)
• InChI Key: ZGICHEMKLPXWPZ-UHFFFAOYSA-N
• Appearance: White solid
• Complexity: 212
• CompoundIs Canonicalized: Yes
• Covalently-Bonded Unit Count: 1
• Defined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Exact Mass: 188.058577502g/mol
• Formal Charge: 0
• H-Bond Acceptor: 3
• H-Bond Donor: 2
• Heavy Atom Count: 14
• Hydrogen Bond Acceptor Count: 3
• Hydrogen Bond Donor Count: 2
• Isotope Atom Count: 0
• Monoisotopic Mass: 188.058577502g/mol
• Rotatable Bond Count: 2
• Topological Polar Surface Area: 66Ų
• Undefined Atom Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• XLogP3: 1.4

Custom Reviews

June 16, 2023

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Good herbicide
4-(1H-Pyrazol-4-yl)benzoic acid can kill some weeds in farmland and improve the yield and quality of crops.