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

Systemtic Name: 2-[3-(bromomethyl)-1,2,4-triazol-4-yl]-5-chloranyl-benzoic acid Openeye Name: 2-[3-(bromomethyl)-1,2,4-triazol-4-yl]-5-chloro-benzoic acid CAS Name: 2-[3-(bromomethyl)-1,2,4-triazol-4-yl]-5-chlorobenzoic acid IUPAC Name: 2-[3-(bromomethyl)-1,2,4-triazol-4-yl]-5-chlorobenzoic acid Traditional Name: 2-[3-(bromomethyl)-1,2,4-triazol-4-yl]-5-chloro-benzoic acid Formula: C10H7BrClN3O2 MolecularWeight: 316.53848

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Cl)C(=O)O)N2C=NN=C2CBr

Isomeric SMILES

C1=CC(=C(C=C1Cl)C(=O)O)N2C=NN=C2CBr

InChI

InChI=1S/C10H7BrClN3O2/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)