5-(fluoranylmethyl)-1-(phenylmethyl)-1,2,3-triazole-4-carboxylic acid

Systemtic Name: 5-(fluoranylmethyl)-1-(phenylmethyl)-1,2,3-triazole-4-carboxylic acid Openeye Name: 1-benzyl-5-(fluoromethyl)triazole-4-carboxylic acid CAS Name: 5-(fluoromethyl)-1-(phenylmethyl)-4-triazolecarboxylic acid IUPAC Name: 1-benzyl-5-(fluoromethyl)triazole-4-carboxylic acid Traditional Name: 1-benzyl-5-(fluoromethyl)triazole-4-carboxylic acid Formula: C11H10FN3O2 MolecularWeight: 235.214403

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=C(N=N2)C(=O)O)CF

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=C(N=N2)C(=O)O)CF

InChI

InChI=1S/C11H10FN3O2/c12-6-9-10(11(16)17)13-14-15(9)7-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,16,17)