Name: Name:1-BENZYL-1H-[1,2,3]TRIAZOLE-4-CARBOXYLIC ACID
Brand: AABLOCKS
SKU: AA00G2YY
Rating: 90 (10 reviews)

Technical Information

Catalog Number: AA00G2YY

Chemical Name: 1-BENZYL-1H-[1,2,3]TRIAZOLE-4-CARBOXYLIC ACID

CAS Number: 76003-76-4

Molecular Formula: C11H11N3O2

Molecular Weight: 217.2239

MDL Number: MFCD03084464

SMILES: COC(=O)c1nnn(c1)Cc1ccccc1

Properties

Complexity: 241

Covalently-Bonded Unit Count: 1

Defined Atom Stereocenter Count: 0

Defined Bond Stereocenter Count: 0

Formal Charge: 0

Heavy Atom Count: 16

Hydrogen Bond Acceptor Count: 4

Hydrogen Bond Donor Count: 0

Isotope Atom Count: 0

Rotatable Bond Count: 4

Undefined Atom Stereocenter Count: 0

Undefined Bond Stereocenter Count: 0

XLogP3: 1.5

Literature fold

Title: Targeting tuberculosis through a small focused library of 1,2,3-triazoles.

Journal: Molecular diversity20111101

Title: Methyl 1-benzyl-1H-1,2,3-triazole-4-carboxyl-ate.

Journal: Acta crystallographica. Section E, Structure reports online20100701

Title: Synthesis and antibiotic activity of a small molecules library of 1,2,3-triazole derivatives.

Journal: Bioorganic & medicinal chemistry letters20080201

76003-76-4 | 1-BENZYL-1H-[1,2,3]TRIAZOLE-4-CARBOXYLIC ACID