1-[3-(4-chlorophenyl)-3-fluoranyl-propyl]-1,2,4-triazole; propan-2-one

Systemtic Name: 1-[3-(4-chlorophenyl)-3-fluoranyl-propyl]-1,2,4-triazole; propan-2-one Openeye Name: acetone; 1-[3-(4-chlorophenyl)-3-fluoro-propyl]-1,2,4-triazole CAS Name: 1-[3-(4-chlorophenyl)-3-fluoropropyl]-1,2,4-triazole; 2-propanone IUPAC Name: 1-[3-(4-chlorophenyl)-3-fluoropropyl]-1,2,4-triazole; propan-2-one Traditional Name: acetone; 1-[3-(4-chlorophenyl)-3-fluoro-propyl]-1,2,4-triazole Formula: C14H17ClFN3O MolecularWeight: 297.755683

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C.C1=CC(=CC=C1C(CCN2C=NC=N2)F)Cl

Isomeric SMILES

CC(=O)C.C1=CC(=CC=C1C(CCN2C=NC=N2)F)Cl

InChI

InChI=1S/C11H11ClFN3.C3H6O/c12-10-3-1-9(2-4-10)11(13)5-6-16-8-14-7-15-16;1-3(2)4/h1-4,7-8,11H,5-6H2;1-2H3