boric acid;dichloronickel;bis(nickel(2+));disulfate

H3BCl2Ni3O11S2 — CID 158265484

IUPACboric acid;dichloronickel;bis(nickel(2+));disulfate
SMILESCl[Ni]Cl.O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].OB(O)O.[Ni+2].[Ni+2]
InChIInChI=1S/BH3O3.2ClH.3Ni.2H2O4S/c2-1(3)4;;;;;;2*1-5(2,3)4/h2-4H;2*1H;;;;2*(H2,1,2,3,4)/q;;;3*+2;;/p-6
InChIKeyGIJQGLBPKYCHDP-UHFFFAOYSA-H
MW500.94 g/mol
LogP-3.36
Rot. Bonds

About boric acid;dichloronickel;bis(nickel(2+));disulfate

boric acid;dichloronickel;bis(nickel(2+));disulfate (PubChem CID 158265484) has the molecular formula H3BCl2Ni3O11S2 and a molecular weight of 500.94 g/mol. Its IUPAC name is boric acid;dichloronickel;bis(nickel(2+));disulfate.

Molecular Properties

Compound Nameboric acid;dichloronickel;bis(nickel(2+));disulfate
PubChem CID158265484
Molecular FormulaH3BCl2Ni3O11S2
Molecular Weight500.94 g/mol
Exact Mass497.66
IUPAC Nameboric acid;dichloronickel;bis(nickel(2+));disulfate
SMILESCl[Ni]Cl.O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].OB(O)O.[Ni+2].[Ni+2]
InChIInChI=1S/BH3O3.2ClH.3Ni.2H2O4S/c2-1(3)4;;;;;;2*1-5(2,3)4/h2-4H;2*1H;;;;2*(H2,1,2,3,4)/q;;;3*+2;;/p-6
InChIKeyGIJQGLBPKYCHDP-UHFFFAOYSA-H
XLogP-3.36
TPSA221.21 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.94
LogP ≤ 5-3.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'sulphate', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of boric acid;dichloronickel;bis(nickel(2+));disulfate?
The IUPAC name of boric acid;dichloronickel;bis(nickel(2+));disulfate (CID 158265484) is boric acid;dichloronickel;bis(nickel(2+));disulfate.
What is the SMILES notation for boric acid;dichloronickel;bis(nickel(2+));disulfate?
The canonical SMILES for boric acid;dichloronickel;bis(nickel(2+));disulfate is Cl[Ni]Cl.O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].OB(O)O.[Ni+2].[Ni+2].
What is the InChIKey of boric acid;dichloronickel;bis(nickel(2+));disulfate?
The InChIKey is GIJQGLBPKYCHDP-UHFFFAOYSA-H. The full InChI is InChI=1S/BH3O3.2ClH.3Ni.2H2O4S/c2-1(3)4;;;;;;2*1-5(2,3)4/h2-4H;2*1H;;;;2*(H2,1,2,3,4)/q;;;3*+2;;/p-6.
What are the key properties of boric acid;dichloronickel;bis(nickel(2+));disulfate?
boric acid;dichloronickel;bis(nickel(2+));disulfate has a molecular weight of 500.94 g/mol, XLogP of -3.36, 0 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for boric acid;dichloronickel;bis(nickel(2+));disulfate is sourced from PubChem (CID 158265484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).