iron;heptahydrate;hydrochloride

H15ClFe2O7 — CID 173205623

IUPACiron;heptahydrate;hydrochloride
SMILESCl.O.O.O.O.O.O.O.[Fe].[Fe]
InChIInChI=1S/ClH.2Fe.7H2O/h1H;;;7*1H2
InChIKeyDJMBHBJQWNSOHQ-UHFFFAOYSA-N
MW274.26 g/mol
LogP-5.36
Rot. Bonds

About iron;heptahydrate;hydrochloride

iron;heptahydrate;hydrochloride (PubChem CID 173205623) has the molecular formula H15ClFe2O7 and a molecular weight of 274.26 g/mol. Its IUPAC name is iron;heptahydrate;hydrochloride.

Molecular Properties

Compound Nameiron;heptahydrate;hydrochloride
PubChem CID173205623
Molecular FormulaH15ClFe2O7
Molecular Weight274.26 g/mol
Exact Mass273.92
IUPAC Nameiron;heptahydrate;hydrochloride
SMILESCl.O.O.O.O.O.O.O.[Fe].[Fe]
InChIInChI=1S/ClH.2Fe.7H2O/h1H;;;7*1H2
InChIKeyDJMBHBJQWNSOHQ-UHFFFAOYSA-N
XLogP-5.36
TPSA220.50 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.26
LogP ≤ 5-5.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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iron;hydrate
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iron;trihydrate
CID 56841934
iron;hydrochloride
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iron;undecahydrate
CID 42626946
iron dihydride;hydrate
CID 175916481
iron;tridecahydrate
CID 173126990
decahydrate;hydrochloride
CID 19007484
iron;trihydrate
CID 173070166
iron;λ2-plumbane;hydrate
CID 174833676
cobalt;iron;hydrate
CID 156591869
germane;hydrate;dihydrochloride
CID 175030984

Frequently Asked Questions

What is the IUPAC name of iron;heptahydrate;hydrochloride?
The IUPAC name of iron;heptahydrate;hydrochloride (CID 173205623) is iron;heptahydrate;hydrochloride.
What is the SMILES notation for iron;heptahydrate;hydrochloride?
The canonical SMILES for iron;heptahydrate;hydrochloride is Cl.O.O.O.O.O.O.O.[Fe].[Fe].
What is the InChIKey of iron;heptahydrate;hydrochloride?
The InChIKey is DJMBHBJQWNSOHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/ClH.2Fe.7H2O/h1H;;;7*1H2.
What are the key properties of iron;heptahydrate;hydrochloride?
iron;heptahydrate;hydrochloride has a molecular weight of 274.26 g/mol, XLogP of -5.36, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for iron;heptahydrate;hydrochloride is sourced from PubChem (CID 173205623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).