2-[3-(bromomethyl)phenyl]-1,3-thiazole-4-carboxylic acid

Systemtic Name: 2-[3-(bromomethyl)phenyl]-1,3-thiazole-4-carboxylic acid Openeye Name: 2-[3-(bromomethyl)phenyl]thiazole-4-carboxylic acid CAS Name: 2-[3-(bromomethyl)phenyl]-4-thiazolecarboxylic acid IUPAC Name: 2-[3-(bromomethyl)phenyl]-1,3-thiazole-4-carboxylic acid Traditional Name: 2-[3-(bromomethyl)phenyl]thiazole-4-carboxylic acid Formula: C11H8BrNO2S MolecularWeight: 298.15572

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CBr)C2=NC(=CS2)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)CBr)C2=NC(=CS2)C(=O)O

InChI

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