dichloronickel;phosphoric acid

H3Cl2NiO4P — CID 158239329

IUPACdichloronickel;phosphoric acid
SMILESCl[Ni]Cl.O=P(O)(O)O
InChIInChI=1S/2ClH.Ni.H3O4P/c;;;1-5(2,3)4/h2*1H;;(H3,1,2,3,4)/q;;+2;/p-2
InChIKeyGFIVYYPNGKJZDP-UHFFFAOYSA-L
MW227.59 g/mol
LogP0.45
Rot. Bonds

About dichloronickel;phosphoric acid

dichloronickel;phosphoric acid (PubChem CID 158239329) has the molecular formula H3Cl2NiO4P and a molecular weight of 227.59 g/mol. Its IUPAC name is dichloronickel;phosphoric acid.

Molecular Properties

Compound Namedichloronickel;phosphoric acid
PubChem CID158239329
Molecular FormulaH3Cl2NiO4P
Molecular Weight227.59 g/mol
Exact Mass225.85
IUPAC Namedichloronickel;phosphoric acid
SMILESCl[Ni]Cl.O=P(O)(O)O
InChIInChI=1S/2ClH.Ni.H3O4P/c;;;1-5(2,3)4/h2*1H;;(H3,1,2,3,4)/q;;+2;/p-2
InChIKeyGFIVYYPNGKJZDP-UHFFFAOYSA-L
XLogP0.45
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.59
LogP ≤ 50.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

beryllium;hydride;niobium;phosphoric acid
CID 175325214
beryllium;hydride;phosphoric acid;hydrofluoride
CID 173435189
phosphoric acid;titanium
CID 173034953
phosphoric acid;octahydrate
CID 173160172
phosphoric acid;hydrate
CID 22023151
phosphane;phosphoric acid
CID 172840180
CID 159816390
CID 159816390
hydrogen peroxide;phosphoric acid
CID 18509931
iron;phosphoric acid
CID 174838016
cerium;phosphoric acid
CID 90659592
CID 173050648
CID 173050648
methane;phosphoric acid
CID 173400304

Frequently Asked Questions

What is the IUPAC name of dichloronickel;phosphoric acid?
The IUPAC name of dichloronickel;phosphoric acid (CID 158239329) is dichloronickel;phosphoric acid.
What is the SMILES notation for dichloronickel;phosphoric acid?
The canonical SMILES for dichloronickel;phosphoric acid is Cl[Ni]Cl.O=P(O)(O)O.
What is the InChIKey of dichloronickel;phosphoric acid?
The InChIKey is GFIVYYPNGKJZDP-UHFFFAOYSA-L. The full InChI is InChI=1S/2ClH.Ni.H3O4P/c;;;1-5(2,3)4/h2*1H;;(H3,1,2,3,4)/q;;+2;/p-2.
What are the key properties of dichloronickel;phosphoric acid?
dichloronickel;phosphoric acid has a molecular weight of 227.59 g/mol, XLogP of 0.45, 0 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dichloronickel;phosphoric acid is sourced from PubChem (CID 158239329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).