3-(bromomethyl)-2-propyl-benzoic acid

Systemtic Name: 3-(bromomethyl)-2-propyl-benzoic acid Openeye Name: 3-(bromomethyl)-2-propyl-benzoic acid CAS Name: 3-(bromomethyl)-2-propylbenzoic acid IUPAC Name: 3-(bromomethyl)-2-propylbenzoic acid Traditional Name: 3-(bromomethyl)-2-propyl-benzoic acid Formula: C11H13BrO2 MolecularWeight: 257.12372

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC=C1CBr)C(=O)O

Isomeric SMILES

CCCC1=C(C=CC=C1CBr)C(=O)O

InChI

InChI=1S/C11H13BrO2/c1-2-4-9-8(7-12)5-3-6-10(9)11(13)14/h3,5-6H,2,4,7H2,1H3,(H,13,14)