2-(benzotriazol-1-yl)-6-chloranyl-benzoic acid

Systemtic Name: 2-(benzotriazol-1-yl)-6-chloranyl-benzoic acid Openeye Name: 2-(benzotriazol-1-yl)-6-chloro-benzoic acid CAS Name: 2-(1-benzotriazolyl)-6-chlorobenzoic acid IUPAC Name: 2-(benzotriazol-1-yl)-6-chlorobenzoic acid Traditional Name: 2-(benzotriazol-1-yl)-6-chloro-benzoic acid Formula: C13H8ClN3O2 MolecularWeight: 273.67452

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=NN2C3=C(C(=CC=C3)Cl)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)N=NN2C3=C(C(=CC=C3)Cl)C(=O)O

InChI

InChI=1S/C13H8ClN3O2/c14-8-4-3-7-11(12(8)13(18)19)17-10-6-2-1-5-9(10)15-16-17/h1-7H,(H,18,19)