94N

2,6-bis(bromanyl)phenol

Created:	2016-10-31
Last modified:	2017-07-12

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2 entries where 94N 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 94N

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Chemical Component Summary
Name	2,6-bis(bromanyl)phenol
Systematic Name (OpenEye OEToolkits)	2,6-bis(bromanyl)phenol
Formula	C₆ H₄ Br₂ O
Molecular Weight	251.903
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	Oc1c(Br)cccc1Br
SMILES	OpenEye OEToolkits	2.0.6	c1cc(c(c(c1)Br)O)Br
Canonical SMILES	CACTVS	3.385	Oc1c(Br)cccc1Br
Canonical SMILES	OpenEye OEToolkits	2.0.6	c1cc(c(c(c1)Br)O)Br
InChI	InChI	1.03	InChI=1S/C6H4Br2O/c7-4-2-1-3-5(8)6(4)9/h1-3,9H
InChIKey	InChI	1.03	SSIZLKDLDKIHEV-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	11847
ChEMBL	CHEMBL111507
ChEBI	CHEBI:19391
CCDC/CSD	YAJVUE

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.