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NBZ

Summary
Name:NITROBENZENE
Formula:C6 H5 N O2
Formal charge:0
Formula weight:123.109 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04nitrobenzene
OpenEye OEToolkits1.5.0nitrobenzene

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04[O-][N+](=O)c1ccccc1
SMILES_CANONICALCACTVS3.341[O-][N+](=O)c1ccccc1
SMILESCACTVS3.341[O-][N+](=O)c1ccccc1
SMILES_CANONICALOpenEye OEToolkits1.5.0c1ccc(cc1)[N+](=O)[O-]
SMILESOpenEye OEToolkits1.5.0c1ccc(cc1)[N+](=O)[O-]
InChIInChI1.03InChI=1S/C6H5NO2/c8-7(9)6-4-2-1-3-5-6/h1-5H
InChIKeyInChI1.03LQNUZADURLCDLV-UHFFFAOYSA-N

217157

PDB entries from 2024-03-13

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