2-bromanylpropane; 1,4-dioxane; methylbenzene

Systemtic Name: 2-bromanylpropane; 1,4-dioxane; methylbenzene Openeye Name: 2-bromopropane; 1,4-dioxane; toluene CAS Name: 2-bromopropane; 1,4-dioxane; toluene IUPAC Name: 2-bromopropane; 1,4-dioxane; toluene Traditional Name: 2-bromopropane; 1,4-dioxane; toluene Formula: C14H23BrO2 MolecularWeight: 303.23522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1.CC(C)Br.C1COCCO1

Isomeric SMILES

CC1=CC=CC=C1.CC(C)Br.C1COCCO1

InChI

InChI=1S/C7H8.C4H8O2.C3H7Br/c1-7-5-3-2-4-6-7;1-2-6-4-3-5-1;1-3(2)4/h2-6H,1H3;1-4H2;3H,1-2H3