iron;perchloric acid;hexahydrate

H15Cl3FeO18 — CID 131864301

IUPACiron;perchloric acid;hexahydrate
SMILESO.O.O.O.O.O.[Fe].[O-][Cl+3]([O-])([O-])O.[O-][Cl+3]([O-])([O-])O.[O-][Cl+3]([O-])([O-])O
InChIInChI=1S/3ClHO4.Fe.6H2O/c3*2-1(3,4)5;;;;;;;/h3*(H,2,3,4,5);;6*1H2
InChIKeyKMKZHYDFFYEDGL-UHFFFAOYSA-N
MW465.31 g/mol
LogP-17.32
Rot. Bonds

About iron;perchloric acid;hexahydrate

iron;perchloric acid;hexahydrate (PubChem CID 131864301) has the molecular formula H15Cl3FeO18 and a molecular weight of 465.31 g/mol. Its IUPAC name is iron;perchloric acid;hexahydrate.

Molecular Properties

Compound Nameiron;perchloric acid;hexahydrate
PubChem CID131864301
Molecular FormulaH15Cl3FeO18
Molecular Weight465.31 g/mol
Exact Mass463.87
IUPAC Nameiron;perchloric acid;hexahydrate
SMILESO.O.O.O.O.O.[Fe].[O-][Cl+3]([O-])([O-])O.[O-][Cl+3]([O-])([O-])O.[O-][Cl+3]([O-])([O-])O
InChIInChI=1S/3ClHO4.Fe.6H2O/c3*2-1(3,4)5;;;;;;;/h3*(H,2,3,4,5);;6*1H2
InChIKeyKMKZHYDFFYEDGL-UHFFFAOYSA-N
XLogP-17.32
TPSA457.23 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.31
LogP ≤ 5-17.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

CID 131846941
CID 131846941
CID 131885083
CID 131885083
CID 45051842
CID 45051842
CID 173089418
CID 173089418
CID 170843834
CID 170843834
Perchloric acid, rubidium salt (1:1)
CID 45051969
neodymium;perchloric acid
CID 156589093
nickel;perchloric acid
CID 131873014
zinc;oxygen(2-);perchloric acid
CID 158823129
CID 158916953
CID 158916953
CID 173036850
CID 173036850
azane;cobalt;perchloric acid;bromide
CID 173028700

Frequently Asked Questions

What is the IUPAC name of iron;perchloric acid;hexahydrate?
The IUPAC name of iron;perchloric acid;hexahydrate (CID 131864301) is iron;perchloric acid;hexahydrate.
What is the SMILES notation for iron;perchloric acid;hexahydrate?
The canonical SMILES for iron;perchloric acid;hexahydrate is O.O.O.O.O.O.[Fe].[O-][Cl+3]([O-])([O-])O.[O-][Cl+3]([O-])([O-])O.[O-][Cl+3]([O-])([O-])O.
What is the InChIKey of iron;perchloric acid;hexahydrate?
The InChIKey is KMKZHYDFFYEDGL-UHFFFAOYSA-N. The full InChI is InChI=1S/3ClHO4.Fe.6H2O/c3*2-1(3,4)5;;;;;;;/h3*(H,2,3,4,5);;6*1H2.
What are the key properties of iron;perchloric acid;hexahydrate?
iron;perchloric acid;hexahydrate has a molecular weight of 465.31 g/mol, XLogP of -17.32, 0 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for iron;perchloric acid;hexahydrate is sourced from PubChem (CID 131864301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).