3-[5-(bromomethyl)-2-methyl-1,3-thiazol-4-yl]benzoic acid

Systemtic Name: 3-[5-(bromomethyl)-2-methyl-1,3-thiazol-4-yl]benzoic acid Openeye Name: 3-[5-(bromomethyl)-2-methyl-thiazol-4-yl]benzoic acid CAS Name: 3-[5-(bromomethyl)-2-methyl-4-thiazolyl]benzoic acid IUPAC Name: 3-[5-(bromomethyl)-2-methyl-1,3-thiazol-4-yl]benzoic acid Traditional Name: 3-[5-(bromomethyl)-2-methyl-thiazol-4-yl]benzoic acid Formula: C12H10BrNO2S MolecularWeight: 312.1823

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(S1)CBr)C2=CC(=CC=C2)C(=O)O

Isomeric SMILES

CC1=NC(=C(S1)CBr)C2=CC(=CC=C2)C(=O)O

InChI

InChI=1S/C12H10BrNO2S/c1-7-14-11(10(6-13)17-7)8-3-2-4-9(5-8)12(15)16/h2-5H,6H2,1H3,(H,15,16)