2-(1H-1,2,4-Triazol-1-yl)benzoic acid

• CAS: 138479-54-6
• Catalog Number: ACM138479546-2
• Category: Other Products
• Molecular Weight: 189.17
• Molecular Formula: C9H7N3O2
• Synonyms: 2-(1H-1,2,4-Triazol-1-yl)benzenecarboxylic acid
• IUPAC Name: 2-(1,2,4-triazol-1-yl)benzoic acid
• SMILES: C1=CC=C(C(=C1)C(=O)O)N2C=NC=N2
• InChI: InChI=1S/C9H7N3O2/c13-9(14)7-3-1-2-4-8(7)12-6-10-5-11-12/h1-6H,(H,13,14)
• InChI Key: INJKHFHZWYNONQ-UHFFFAOYSA-N
• Boiling Point: 429.5 ºC at 760 mmHg
• Flash Point: 213.6 ºC
• Density: 1.39g/cm³
• Complexity: 222
• CompoundIs Canonicalized: Yes
• Covalently-Bonded Unit Count: 1
• Defined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Exact Mass: 189.053826475g/mol
• Formal Charge: 0
• H-Bond Acceptor: 4
• H-Bond Donor: 1
• Heavy Atom Count: 14
• Hydrogen Bond Acceptor Count: 4
• Hydrogen Bond Donor Count: 1
• Isotope Atom Count: 0
• Length: 0.5-2 um
• Monoisotopic Mass: 189.053826475g/mol
• Rotatable Bond Count: 2
• Topological Polar Surface Area: 68Ų
• Undefined Atom Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• XLogP3: 1.2

Custom Reviews

June 16, 2023

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Efficient catalyst
The framework material synthesized by 2-(1H-1,2,4-triazol-1-yl)benzoic acid has high catalytic efficiency.