64I

2,2',3,3',5,5',6,6'-octafluorobiphenyl-4,4'-diol

Created:	2013-01-04
Last modified:	2014-02-19

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2 entries where 64I is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	24
Chiral Atom Count	0
Bond Count	25
Aromatic Bond Count	12

2D diagram of 64I

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Chemical Component Summary
Name	2,2',3,3',5,5',6,6'-octafluorobiphenyl-4,4'-diol
Systematic Name (OpenEye OEToolkits)	2,3,5,6-tetrakis(fluoranyl)-4-[2,3,5,6-tetrakis(fluoranyl)-4-oxidanyl-phenyl]phenol
Formula	C₁₂ H₂ F₈ O₂
Molecular Weight	330.13
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Fc1c(c(F)c(F)c(O)c1F)c2c(F)c(F)c(O)c(F)c2F
SMILES	CACTVS	3.370	Oc1c(F)c(F)c(c(F)c1F)c2c(F)c(F)c(O)c(F)c2F
SMILES	OpenEye OEToolkits	1.7.6	c1(c(c(c(c(c1F)F)O)F)F)c2c(c(c(c(c2F)F)O)F)F
Canonical SMILES	CACTVS	3.370	Oc1c(F)c(F)c(c(F)c1F)c2c(F)c(F)c(O)c(F)c2F
Canonical SMILES	OpenEye OEToolkits	1.7.6	c1(c(c(c(c(c1F)F)O)F)F)c2c(c(c(c(c2F)F)O)F)F
InChI	InChI	1.03	InChI=1S/C12H2F8O2/c13-3-1(4(14)8(18)11(21)7(3)17)2-5(15)9(19)12(22)10(20)6(2)16/h21-22H
InChIKey	InChI	1.03	MOFZHBRFFAIMKM-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	630263
CCDC/CSD	TUTFOG, TUTFIA, TUTGEX

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