5Q9

~{N}-[[2,6-bis(chloranyl)phenyl]methyl]-~{N}-methyl-ethanamide

Created:	2015-11-09
Last modified:	2016-04-27

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1 entries where 5Q9 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	25
Chiral Atom Count	0
Bond Count	25
Aromatic Bond Count	6

2D diagram of 5Q9

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Chemical Component Summary
Name	~{N}-[[2,6-bis(chloranyl)phenyl]methyl]-~{N}-methyl-ethanamide
Systematic Name (OpenEye OEToolkits)	~{N}-[[2,6-bis(chloranyl)phenyl]methyl]-~{N}-methyl-ethanamide
Formula	C₁₀ H₁₁ Cl₂ N O
Molecular Weight	232.106
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CN(Cc1c(Cl)cccc1Cl)C(C)=O
SMILES	OpenEye OEToolkits	2.0.4	CC(=O)N(C)Cc1c(cccc1Cl)Cl
Canonical SMILES	CACTVS	3.385	CN(Cc1c(Cl)cccc1Cl)C(C)=O
Canonical SMILES	OpenEye OEToolkits	2.0.4	CC(=O)N(C)Cc1c(cccc1Cl)Cl
InChI	InChI	1.03	InChI=1S/C10H11Cl2NO/c1-7(14)13(2)6-8-9(11)4-3-5-10(8)12/h3-5H,6H2,1-2H3
InChIKey	InChI	1.03	UENKEFYXNFQIIC-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	118987240

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