1-(5-bromanyl-2-fluoranyl-phenyl)benzotriazole-5-carboxylic acid

Systemtic Name: 1-(5-bromanyl-2-fluoranyl-phenyl)benzotriazole-5-carboxylic acid Openeye Name: 1-(5-bromo-2-fluoro-phenyl)benzotriazole-5-carboxylic acid CAS Name: 1-(5-bromo-2-fluorophenyl)-5-benzotriazolecarboxylic acid IUPAC Name: 1-(5-bromo-2-fluorophenyl)benzotriazole-5-carboxylic acid Traditional Name: 1-(5-bromo-2-fluoro-phenyl)benzotriazole-5-carboxylic acid Formula: C13H7BrFN3O2 MolecularWeight: 336.115983

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1C(=O)O)N=NN2C3=C(C=CC(=C3)Br)F

Isomeric SMILES

C1=CC2=C(C=C1C(=O)O)N=NN2C3=C(C=CC(=C3)Br)F

InChI

InChI=1S/C13H7BrFN3O2/c14-8-2-3-9(15)12(6-8)18-11-4-1-7(13(19)20)5-10(11)16-17-18/h1-6H,(H,19,20)