6SF

2-[3,4-bis(chloranyl)phenoxy]ethanamine

Created:	2016-06-14
Last modified:	2017-08-09

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1 entries where 6SF is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	21
Chiral Atom Count	0
Bond Count	21
Aromatic Bond Count	6

2D diagram of 6SF

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Chemical Component Summary
Name	2-[3,4-bis(chloranyl)phenoxy]ethanamine
Systematic Name (OpenEye OEToolkits)	2-[3,4-bis(chloranyl)phenoxy]ethanamine
Formula	C₈ H₉ Cl₂ N O
Molecular Weight	206.069
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	NCCOc1ccc(Cl)c(Cl)c1
SMILES	OpenEye OEToolkits	2.0.5	c1cc(c(cc1OCCN)Cl)Cl
Canonical SMILES	CACTVS	3.385	NCCOc1ccc(Cl)c(Cl)c1
Canonical SMILES	OpenEye OEToolkits	2.0.5	c1cc(c(cc1OCCN)Cl)Cl
InChI	InChI	1.03	InChI=1S/C8H9Cl2NO/c9-7-2-1-6(5-8(7)10)12-4-3-11/h1-2,5H,3-4,11H2
InChIKey	InChI	1.03	RXPLSUNVXZROEH-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	18542939

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.