2-[3-(bromomethyl)quinolin-2-yl]propan-2-ylphosphonic acid

Systemtic Name: 2-[3-(bromomethyl)quinolin-2-yl]propan-2-ylphosphonic acid Openeye Name: [1-[3-(bromomethyl)-2-quinolyl]-1-methyl-ethyl]phosphonic acid CAS Name: 2-[3-(bromomethyl)-2-quinolinyl]propan-2-ylphosphonic acid IUPAC Name: 2-[3-(bromomethyl)quinolin-2-yl]propan-2-ylphosphonic acid Traditional Name: [1-[3-(bromomethyl)-2-quinolyl]-1-methyl-ethyl]phosphonic acid Formula: C13H15BrNO3P MolecularWeight: 344.140861

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=NC2=CC=CC=C2C=C1CBr)P(=O)(O)O

Isomeric SMILES

CC(C)(C1=NC2=CC=CC=C2C=C1CBr)P(=O)(O)O

InChI

InChI=1S/C13H15BrNO3P/c1-13(2,19(16,17)18)12-10(8-14)7-9-5-3-4-6-11(9)15-12/h3-7H,8H2,1-2H3,(H2,16,17,18)