NBE

NITROSOBENZENE

Created:	1999-07-08
Last modified:	2011-06-04

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6 entries where NBE is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	13
Chiral Atom Count	0
Bond Count	13
Aromatic Bond Count	6

2D diagram of NBE

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Chemical Component Summary
Name	NITROSOBENZENE
Systematic Name (OpenEye OEToolkits)	nitrosobenzene
Formula	C₆ H₅ N O
Molecular Weight	107.11
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=Nc1ccccc1
SMILES	CACTVS	3.341	O=Nc1ccccc1
SMILES	OpenEye OEToolkits	1.5.0	c1ccc(cc1)N=O
Canonical SMILES	CACTVS	3.341	O=Nc1ccccc1
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1ccc(cc1)N=O
InChI	InChI	1.03	InChI=1S/C6H5NO/c8-7-6-4-2-1-3-5-6/h1-5H
InChIKey	InChI	1.03	NLRKCXQQSUWLCH-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	11473
ChEMBL	CHEMBL98797
ChEBI	CHEBI:27986

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.