dichloronickel;2-hydroxyethyl dihydrogen phosphate;trichloroyttrium

C2H7Cl5NiO5PY — CID 174854669

IUPACdichloronickel;2-hydroxyethyl dihydrogen phosphate;trichloroyttrium
SMILESCl[Ni]Cl.Cl[Y](Cl)Cl.O=P(O)(O)OCCO
InChIInChI=1S/C2H7O5P.5ClH.Ni.Y/c3-1-2-7-8(4,5)6;;;;;;;/h3H,1-2H2,(H2,4,5,6);5*1H;;/q;;;;;;+2;+3/p-5
InChIKeyPMYOUMCWAJGUBX-UHFFFAOYSA-I
MW466.91 g/mol
LogP2.53
Rot. Bonds3

About dichloronickel;2-hydroxyethyl dihydrogen phosphate;trichloroyttrium

dichloronickel;2-hydroxyethyl dihydrogen phosphate;trichloroyttrium (PubChem CID 174854669) has the molecular formula C2H7Cl5NiO5PY and a molecular weight of 466.91 g/mol. Its IUPAC name is dichloronickel;2-hydroxyethyl dihydrogen phosphate;trichloroyttrium.

Molecular Properties

Compound Namedichloronickel;2-hydroxyethyl dihydrogen phosphate;trichloroyttrium
PubChem CID174854669
Molecular FormulaC2H7Cl5NiO5PY
Molecular Weight466.91 g/mol
Exact Mass463.69
IUPAC Namedichloronickel;2-hydroxyethyl dihydrogen phosphate;trichloroyttrium
SMILESCl[Ni]Cl.Cl[Y](Cl)Cl.O=P(O)(O)OCCO
InChIInChI=1S/C2H7O5P.5ClH.Ni.Y/c3-1-2-7-8(4,5)6;;;;;;;/h3H,1-2H2,(H2,4,5,6);5*1H;;/q;;;;;;+2;+3/p-5
InChIKeyPMYOUMCWAJGUBX-UHFFFAOYSA-I
XLogP2.53
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.91
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxyethyl dihydrogen phosphate;phosphoric acid
CID 155226574
dicalcium;hydride;2-hydroxyethyl dihydrogen phosphate
CID 174231614
ethene;2-hydroxyethyl dihydrogen phosphate
CID 173023199
3-hydroxypropyl dihydrogen phosphate;phosphoric acid
CID 139534091
8-hydroxyoctyl dihydrogen phosphate
CID 87681858
12-hydroxydodecyl dihydrogen phosphate
CID 24830904
dichloronickel;2-methoxyethanol
CID 175069984
9-phosphonooxynonyl dihydrogen phosphate
CID 142711404
10-phosphonooxydecyl dihydrogen phosphate
CID 19764276
ethane-1,2-diol;trimethyl(2-phosphonooxyethyl)azanium
CID 87302200
2-[hydroxy(2-hydroxyethoxy)phosphoryl]ethylphosphonic acid
CID 175439320
3-(2-hydroxyethylamino)propyl dihydrogen phosphate
CID 10655598

Frequently Asked Questions

What is the IUPAC name of dichloronickel;2-hydroxyethyl dihydrogen phosphate;trichloroyttrium?
The IUPAC name of dichloronickel;2-hydroxyethyl dihydrogen phosphate;trichloroyttrium (CID 174854669) is dichloronickel;2-hydroxyethyl dihydrogen phosphate;trichloroyttrium.
What is the SMILES notation for dichloronickel;2-hydroxyethyl dihydrogen phosphate;trichloroyttrium?
The canonical SMILES for dichloronickel;2-hydroxyethyl dihydrogen phosphate;trichloroyttrium is Cl[Ni]Cl.Cl[Y](Cl)Cl.O=P(O)(O)OCCO.
What is the InChIKey of dichloronickel;2-hydroxyethyl dihydrogen phosphate;trichloroyttrium?
The InChIKey is PMYOUMCWAJGUBX-UHFFFAOYSA-I. The full InChI is InChI=1S/C2H7O5P.5ClH.Ni.Y/c3-1-2-7-8(4,5)6;;;;;;;/h3H,1-2H2,(H2,4,5,6);5*1H;;/q;;;;;;+2;+3/p-5.
What are the key properties of dichloronickel;2-hydroxyethyl dihydrogen phosphate;trichloroyttrium?
dichloronickel;2-hydroxyethyl dihydrogen phosphate;trichloroyttrium has a molecular weight of 466.91 g/mol, XLogP of 2.53, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dichloronickel;2-hydroxyethyl dihydrogen phosphate;trichloroyttrium is sourced from PubChem (CID 174854669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).