trichloroscandium;hexahydrate

H12Cl3O6Sc — CID 71311389

IUPACtrichloroscandium;hexahydrate
SMILESCl[Sc](Cl)Cl.O.O.O.O.O.O
InChIInChI=1S/3ClH.6H2O.Sc/h3*1H;6*1H2;/q;;;;;;;;;+3/p-3
InChIKeyFKZFOHABAHJDIK-UHFFFAOYSA-K
MW259.40 g/mol
LogP-2.88
Rot. Bonds

About trichloroscandium;hexahydrate

trichloroscandium;hexahydrate (PubChem CID 71311389) has the molecular formula H12Cl3O6Sc and a molecular weight of 259.40 g/mol. Its IUPAC name is trichloroscandium;hexahydrate.

Molecular Properties

Compound Nametrichloroscandium;hexahydrate
PubChem CID71311389
Molecular FormulaH12Cl3O6Sc
Molecular Weight259.40 g/mol
Exact Mass257.93
IUPAC Nametrichloroscandium;hexahydrate
SMILESCl[Sc](Cl)Cl.O.O.O.O.O.O
InChIInChI=1S/3ClH.6H2O.Sc/h3*1H;6*1H2;/q;;;;;;;;;+3/p-3
InChIKeyFKZFOHABAHJDIK-UHFFFAOYSA-K
XLogP-2.88
TPSA189.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 5-2.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of trichloroscandium;hexahydrate?
The IUPAC name of trichloroscandium;hexahydrate (CID 71311389) is trichloroscandium;hexahydrate.
What is the SMILES notation for trichloroscandium;hexahydrate?
The canonical SMILES for trichloroscandium;hexahydrate is Cl[Sc](Cl)Cl.O.O.O.O.O.O.
What is the InChIKey of trichloroscandium;hexahydrate?
The InChIKey is FKZFOHABAHJDIK-UHFFFAOYSA-K. The full InChI is InChI=1S/3ClH.6H2O.Sc/h3*1H;6*1H2;/q;;;;;;;;;+3/p-3.
What are the key properties of trichloroscandium;hexahydrate?
trichloroscandium;hexahydrate has a molecular weight of 259.40 g/mol, XLogP of -2.88, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trichloroscandium;hexahydrate is sourced from PubChem (CID 71311389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).