3-chloranylbicyclo[2.2.1]hepta-1,3,5-triene; 3-chloranyl-3-methyl-pent-4-en-2-one

Systemtic Name: 3-chloranylbicyclo[2.2.1]hepta-1,3,5-triene; 3-chloranyl-3-methyl-pent-4-en-2-one Openeye Name: 3-chlorobicyclo[2.2.1]hepta-1,3,5-triene; 3-chloro-3-methyl-pent-4-en-2-one CAS Name: 3-chlorobicyclo[2.2.1]hepta-1,3,5-triene; 3-chloro-3-methyl-4-penten-2-one IUPAC Name: 3-chlorobicyclo[2.2.1]hepta-1,3,5-triene; 3-chloro-3-methylpent-4-en-2-one Traditional Name: 3-chlorobicyclo[2.2.1]hepta-1,3,5-triene; 3-chloro-3-methyl-pent-4-en-2-one Formula: C13H14Cl2O MolecularWeight: 257.15566

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(C)(C=C)Cl.C1C2=CC(=C1C=C2)Cl

Isomeric SMILES

CC(=O)C(C)(C=C)Cl.C1C2=CC(=C1C=C2)Cl

InChI

InChI=1S/C7H5Cl.C6H9ClO/c8-7-4-5-1-2-6(7)3-5;1-4-6(3,7)5(2)8/h1-2,4H,3H2;4H,1H2,2-3H3