2-chloranyl-4-(1,2,4-triazol-1-yl)benzoic acid

Systemtic Name: 2-chloranyl-4-(1,2,4-triazol-1-yl)benzoic acid Openeye Name: 2-chloro-4-(1,2,4-triazol-1-yl)benzoic acid CAS Name: 2-chloro-4-(1,2,4-triazol-1-yl)benzoic acid IUPAC Name: 2-chloro-4-(1,2,4-triazol-1-yl)benzoic acid Traditional Name: 2-chloro-4-(1,2,4-triazol-1-yl)benzoic acid Formula: C9H6ClN3O2 MolecularWeight: 223.61584

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1N2C=NC=N2)Cl)C(=O)O

Isomeric SMILES

C1=CC(=C(C=C1N2C=NC=N2)Cl)C(=O)O

InChI

InChI=1S/C9H6ClN3O2/c10-8-3-6(13-5-11-4-12-13)1-2-7(8)9(14)15/h1-5H,(H,14,15)