ISDA: 1O7T

Structural Complex

Chemical ID: HF5

IUPAC Name: HF OXO CLUSTER HF5

Formal Charge: -10

Type: NON-POLYMER

Physiochemical Descriptor:

Formula: H12 Hf5 O21

Molecular weight: 1240.533

Hydrogen Bond Acceptor:

Hydrogen Bond Donor:

Rotatable Bonds:

Heavy Atoms:

Systematic name

Program	Version	Descriptor

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.06	InChI=1S/5Hf.12H2O.9O/h;;;;;121H2;;;;;;;;;/q+1;2+2;+3;+4;;;;;;;;;;;;;;;;;;;;;/p-12
InChIKey	InChI	1.06	GIVDBOIHCZOXMU-UHFFFAOYSA-B
SMILES_CANONICAL	CACTVS	3.385	O[Hf]123O[Hf](O)(O)(O)(O)O[Hf]4(O)(O)(O1)O[Hf]5(O)(O)(O2)O[Hf](O)(O)(O)(O3)(O4)O5
SMILES	CACTVS	3.385	O[Hf]123O[Hf](O)(O)(O)(O)O[Hf]4(O)(O)(O1)O[Hf]5(O)(O)(O2)O[Hf](O)(O)(O)(O3)(O4)O5
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	O[Hf]1(O[Hf]23(O[Hf]45(O[Hf]6(O1)(O2)([O@]4[Hf](O3)(O5)(O6)(O)(O)O)O)(O)O)(O)O)(O)(O)O
SMILES	OpenEye OEToolkits	2.0.7	O[Hf]1(O[Hf]23(O[Hf]45(O[Hf]6(O1)(O2)(O4[Hf](O3)(O5)(O6)(O)(O)O)O)(O)O)(O)O)(O)(O)O