dichloronickel;2-methoxyethanol

C3H8Cl2NiO2 — CID 175069984

IUPACdichloronickel;2-methoxyethanol
SMILESCOCCO.Cl[Ni]Cl
InChIInChI=1S/C3H8O2.2ClH.Ni/c1-5-3-2-4;;;/h4H,2-3H2,1H3;2*1H;/q;;;+2/p-2
InChIKeyQQAGRZFOXNTUTL-UHFFFAOYSA-L
MW205.69 g/mol
LogP1.00
Rot. Bonds2

About dichloronickel;2-methoxyethanol

dichloronickel;2-methoxyethanol (PubChem CID 175069984) has the molecular formula C3H8Cl2NiO2 and a molecular weight of 205.69 g/mol. Its IUPAC name is dichloronickel;2-methoxyethanol.

Molecular Properties

Compound Namedichloronickel;2-methoxyethanol
PubChem CID175069984
Molecular FormulaC3H8Cl2NiO2
Molecular Weight205.69 g/mol
Exact Mass203.93
IUPAC Namedichloronickel;2-methoxyethanol
SMILESCOCCO.Cl[Ni]Cl
InChIInChI=1S/C3H8O2.2ClH.Ni/c1-5-3-2-4;;;/h4H,2-3H2,1H3;2*1H;/q;;;+2/p-2
InChIKeyQQAGRZFOXNTUTL-UHFFFAOYSA-L
XLogP1.00
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.69
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of dichloronickel;2-methoxyethanol?
The IUPAC name of dichloronickel;2-methoxyethanol (CID 175069984) is dichloronickel;2-methoxyethanol.
What is the SMILES notation for dichloronickel;2-methoxyethanol?
The canonical SMILES for dichloronickel;2-methoxyethanol is COCCO.Cl[Ni]Cl.
What is the InChIKey of dichloronickel;2-methoxyethanol?
The InChIKey is QQAGRZFOXNTUTL-UHFFFAOYSA-L. The full InChI is InChI=1S/C3H8O2.2ClH.Ni/c1-5-3-2-4;;;/h4H,2-3H2,1H3;2*1H;/q;;;+2/p-2.
What are the key properties of dichloronickel;2-methoxyethanol?
dichloronickel;2-methoxyethanol has a molecular weight of 205.69 g/mol, XLogP of 1.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dichloronickel;2-methoxyethanol is sourced from PubChem (CID 175069984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).