69J

5-ethyl-4-fluoro-2-(2-nitrophenoxy)phenol

Created:	2016-02-21
Last modified:	2017-02-22

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1 entries where 69J is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	32
Chiral Atom Count	0
Bond Count	33
Aromatic Bond Count	12

2D diagram of 69J

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Chemical Component Summary
Name	5-ethyl-4-fluoro-2-(2-nitrophenoxy)phenol
Systematic Name (OpenEye OEToolkits)	5-ethyl-4-fluoranyl-2-(2-nitrophenoxy)phenol
Formula	C₁₄ H₁₂ F N O₄
Molecular Weight	277.248
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	[O-][N+](=O)c1ccccc1Oc2cc(F)c(cc2O)CC
SMILES	CACTVS	3.385	CCc1cc(O)c(Oc2ccccc2[N+]([O-])=O)cc1F
SMILES	OpenEye OEToolkits	2.0.4	CCc1cc(c(cc1F)Oc2ccccc2[N+](=O)[O-])O
Canonical SMILES	CACTVS	3.385	CCc1cc(O)c(Oc2ccccc2[N+]([O-])=O)cc1F
Canonical SMILES	OpenEye OEToolkits	2.0.4	CCc1cc(c(cc1F)Oc2ccccc2[N+](=O)[O-])O
InChI	InChI	1.03	InChI=1S/C14H12FNO4/c1-2-9-7-12(17)14(8-10(9)15)20-13-6-4-3-5-11(13)16(18)19/h3-8,17H,2H2,1H3
InChIKey	InChI	1.03	XQDRDJODNDLLTL-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	124201638

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