5-chloranyl-2-[3-(chloromethyl)-1,2,4-triazol-4-yl]benzoic acid

Systemtic Name: 5-chloranyl-2-[3-(chloromethyl)-1,2,4-triazol-4-yl]benzoic acid Openeye Name: 5-chloro-2-[3-(chloromethyl)-1,2,4-triazol-4-yl]benzoic acid CAS Name: 5-chloro-2-[3-(chloromethyl)-1,2,4-triazol-4-yl]benzoic acid IUPAC Name: 5-chloro-2-[3-(chloromethyl)-1,2,4-triazol-4-yl]benzoic acid Traditional Name: 5-chloro-2-[3-(chloromethyl)-1,2,4-triazol-4-yl]benzoic acid Formula: C10H7Cl2N3O2 MolecularWeight: 272.08748

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Cl)C(=O)O)N2C=NN=C2CCl

Isomeric SMILES

C1=CC(=C(C=C1Cl)C(=O)O)N2C=NN=C2CCl

InChI

InChI=1S/C10H7Cl2N3O2/c11-4-9-14-13-5-15(9)8-2-1-6(12)3-7(8)10(16)17/h1-3,5H,4H2,(H,16,17)