1-chloranyl-3-methyl-benzene; ethanenitrile

Systemtic Name: 1-chloranyl-3-methyl-benzene; ethanenitrile Openeye Name: acetonitrile; 1-chloro-3-methyl-benzene CAS Name: acetonitrile; 1-chloro-3-methylbenzene IUPAC Name: acetonitrile; 1-chloro-3-methylbenzene Traditional Name: acetonitrile; 1-chloro-3-methyl-benzene Formula: C9H10ClN MolecularWeight: 167.6354

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Descriptors Computed from Structure

Canonical SMILES:

CC#N.CC1=CC(=CC=C1)Cl

Isomeric SMILES

CC#N.CC1=CC(=CC=C1)Cl

InChI

InChI=1S/C7H7Cl.C2H3N/c1-6-3-2-4-7(8)5-6;1-2-3/h2-5H,1H3;1H3