1-bromanyl-2-isocyanato-3,5-dimethyl-benzene

Systemtic Name: 1-bromanyl-2-isocyanato-3,5-dimethyl-benzene Openeye Name: 1-bromo-2-isocyanato-3,5-dimethyl-benzene CAS Name: 1-bromo-2-isocyanato-3,5-dimethylbenzene IUPAC Name: 1-bromo-2-isocyanato-3,5-dimethylbenzene Traditional Name: 1-bromo-2-isocyanato-3,5-dimethyl-benzene Formula: C9H8BrNO MolecularWeight: 226.06992

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)Br)N=C=O)C

Isomeric SMILES

CC1=CC(=C(C(=C1)Br)N=C=O)C

InChI

InChI=1S/C9H8BrNO/c1-6-3-7(2)9(11-5-12)8(10)4-6/h3-4H,1-2H3