ISDA: 3AGT

CFO

Structural Complex

Chemical ID: CFO

IUPAC Name: CHLORO DIIRON-OXO MOIETY

Formal Charge: ?

Type: NON-POLYMER

Physiochemical Descriptor:

Formula: Cl Fe2 O

Molecular weight: 163.142

Hydrogen Bond Acceptor:

Hydrogen Bond Donor:

Rotatable Bonds:

Heavy Atoms:

Systematic name

Program	Version	Descriptor
OpenEye OEToolkits	1.5.0	chloro-ferriooxy-iron

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES_CANONICAL	CACTVS	3.341	Cl[Fe]O[Fe]
SMILES	CACTVS	3.341	Cl[Fe]O[Fe]
SMILES_CANONICAL	OpenEye OEToolkits	1.5.0	O([Fe])[Fe]Cl
SMILES	OpenEye OEToolkits	1.5.0	O([Fe])[Fe]Cl
InChI	InChI	1.03	InChI=1S/ClH.2Fe.O/h1H;;;/q;;+1;/p-1
InChIKey	InChI	1.03	KBTPJIQAZMMQJH-UHFFFAOYSA-M