1-(chloromethyl)-2-propyl-benzene; 2-phenylethanenitrile

Systemtic Name: 1-(chloromethyl)-2-propyl-benzene; 2-phenylethanenitrile Openeye Name: 1-(chloromethyl)-2-propyl-benzene; 2-phenylacetonitrile CAS Name: 1-(chloromethyl)-2-propylbenzene; 2-phenylacetonitrile IUPAC Name: 1-(chloromethyl)-2-propylbenzene; 2-phenylacetonitrile Traditional Name: 1-(chloromethyl)-2-propyl-benzene; 2-phenylacetonitrile Formula: C18H20ClN MolecularWeight: 285.8111

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=CC=C1CCl.C1=CC=C(C=C1)CC#N

Isomeric SMILES

CCCC1=CC=CC=C1CCl.C1=CC=C(C=C1)CC#N

InChI

InChI=1S/C10H13Cl.C8H7N/c1-2-5-9-6-3-4-7-10(9)8-11;9-7-6-8-4-2-1-3-5-8/h3-4,6-7H,2,5,8H2,1H3;1-5H,6H2