4,4'-((1H-1,2,4-Triazol-1-yl)methylene)dibenzoic acid - CAS 1644566-39-1

4,4′-((1H-1,2,4-Triazol-1-yl)methylene)dibenzoic acid (Cat.No:L004022) is a significant chemical compound in pharmaceutical research. Its unique structure, incorporating a 1,2,4-triazole ring, offers versatile reactivity. This compound serves as a crucial scaffold in the development of bioactive molecules, particularly in the field of pharmaceuticals.

Catalog Number: L004022

CAS Number: 1644566-39-1

Molecular Formula: C17H13N3O4

Molecular Weight:323.3

Purity: ≥95%

* For research use only. Not for human or veterinary use.

Property

• Molecular Formula: C17H13N3O4
• Molecular Weight: 323.3
• Purity: ≥95%

Computed Descriptor

• IUPAC Name: 4-[(4-carboxyphenyl)-(1,2,4-triazol-1-yl)methyl]benzoic acid
• InChI: InChI=1S/C17H13N3O4/c21-16(22)13-5-1-11(2-6-13)15(20-10-18-9-19-20)12-3-7-14(8-4-12)17(23)24/h1-10,15H,(H,21,22)(H,23,24)
• InChIKey: OMYQMDBEDMTHOJ-UHFFFAOYSA-N
• SMILES: C1=CC(=CC=C1C(C2=CC=C(C=C2)C(=O)O)N3C=NC=N3)C(=O)O