TV6

1-[3,5-bis(chloranyl)phenoxy]propan-2-amine

Created:	2023-01-12
Last modified:	2023-05-24

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1 entries where TV6 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	24
Chiral Atom Count	0
Bond Count	24
Aromatic Bond Count	6

2D diagram of TV6

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Chemical Component Summary
Name	1-[3,5-bis(chloranyl)phenoxy]propan-2-amine
Systematic Name (OpenEye OEToolkits)	1-[3,5-bis(chloranyl)phenoxy]propan-2-amine
Formula	C₉ H₁₁ Cl₂ N O
Molecular Weight	220.096
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	C[CH](N)COc1cc(Cl)cc(Cl)c1
SMILES	OpenEye OEToolkits	2.0.7	CC(COc1cc(cc(c1)Cl)Cl)N
Canonical SMILES	CACTVS	3.385	C[C@H](N)COc1cc(Cl)cc(Cl)c1
Canonical SMILES	OpenEye OEToolkits	2.0.7	CC(COc1cc(cc(c1)Cl)Cl)N
InChI	InChI	1.06	InChI=1S/C9H11Cl2NO/c1-6(12)5-13-9-3-7(10)2-8(11)4-9/h2-4,6H,5,12H2,1H3/t6-/m0/s1
InChIKey	InChI	1.06	YNVNHWOJYTUTFH-LURJTMIESA-N

Related Resource References

Resource Name	Reference
PubChem	67660552

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.