3-(4-bromophenyl)prop-2-ynoic acid

Systemtic Name: 3-(4-bromophenyl)prop-2-ynoic acid Openeye Name: 3-(4-bromophenyl)prop-2-ynoic acid CAS Name: 3-(4-bromophenyl)-2-propynoic acid IUPAC Name: 3-(4-bromophenyl)prop-2-ynoic acid Traditional Name: 3-(4-bromophenyl)propiolic acid Formula: C9H5BrO2 MolecularWeight: 225.0388

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#CC(=O)O)Br

Isomeric SMILES

C1=CC(=CC=C1C#CC(=O)O)Br

InChI

InChI=1S/C9H5BrO2/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-2,4-5H,(H,11,12)