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5-(bromomethyl)-2-isothiocyanato-1-methyl-3-nitro-benzene

5-(bromomethyl)-2-isothiocyanato-1-methyl-3-nitro-benzene

Systemtic Name:5-(bromomethyl)-2-isothiocyanato-1-methyl-3-nitro-benzene
Openeye Name:5-(bromomethyl)-2-isothiocyanato-1-methyl-3-nitro-benzene
CAS Name:5-(bromomethyl)-2-isothiocyanato-1-methyl-3-nitrobenzene
IUPAC Name:5-(bromomethyl)-2-isothiocyanato-1-methyl-3-nitrobenzene
Traditional Name:5-(bromomethyl)-2-isothiocyanato-1-methyl-3-nitro-benzene
Formula: C9H7BrN2O2S
MolecularWeight: 287.13308
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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)CBr)[N+](=O)[O-])N=C=S


Isomeric SMILES

CC1=C(C(=CC(=C1)CBr)[N+](=O)[O-])N=C=S


InChI

InChI=1S/C9H7BrN2O2S/c1-6-2-7(4-10)3-8(12(13)14)9(6)11-5-15/h2-3H,4H2,1H3


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