BNZ

BENZENE

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

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19 entries where BNZ is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	12
Chiral Atom Count	0
Bond Count	12
Aromatic Bond Count	6

2D diagram of BNZ

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Chemical Component Summary
Name	BENZENE
Systematic Name (OpenEye OEToolkits)	benzene
Formula	C₆ H₆
Molecular Weight	78.112
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	11.02	c1ccccc1
SMILES	CACTVS	3.352	c1ccccc1
SMILES	OpenEye OEToolkits	1.7.0	c1ccccc1
Canonical SMILES	CACTVS	3.352	c1ccccc1
Canonical SMILES	OpenEye OEToolkits	1.7.0	c1ccccc1
InChI	InChI	1.03	InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H
InChIKey	InChI	1.03	UHOVQNZJYSORNB-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	241
ChEMBL	CHEMBL277500
ChEBI	CHEBI:16716
COD	7114849, 4501702, 4501703, 4501704, 7050784, 2311694, 2100348, 2100349, 2100350

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.