3-[5-(bromomethyl)-1,3-thiazol-4-yl]benzoic acid

Systemtic Name: 3-[5-(bromomethyl)-1,3-thiazol-4-yl]benzoic acid Openeye Name: 3-[5-(bromomethyl)thiazol-4-yl]benzoic acid CAS Name: 3-[5-(bromomethyl)-4-thiazolyl]benzoic acid IUPAC Name: 3-[5-(bromomethyl)-1,3-thiazol-4-yl]benzoic acid Traditional Name: 3-[5-(bromomethyl)thiazol-4-yl]benzoic acid Formula: C11H8BrNO2S MolecularWeight: 298.15572

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(=O)O)C2=C(SC=N2)CBr

Isomeric SMILES

C1=CC(=CC(=C1)C(=O)O)C2=C(SC=N2)CBr

InChI

InChI=1S/C11H8BrNO2S/c12-5-9-10(13-6-16-9)7-2-1-3-8(4-7)11(14)15/h1-4,6H,5H2,(H,14,15)