nickel;phenoxyphosphane

C6H7NiOP — CID 158547426

IUPACnickel;phenoxyphosphane
SMILESPOc1ccccc1.[Ni]
InChIInChI=1S/C6H7OP.Ni/c8-7-6-4-2-1-3-5-6;/h1-5H,8H2;
InChIKeyHPHHPLGAGVYFSA-UHFFFAOYSA-N
MW184.79 g/mol
LogP1.85
Rot. Bonds1

About nickel;phenoxyphosphane

nickel;phenoxyphosphane (PubChem CID 158547426) has the molecular formula C6H7NiOP and a molecular weight of 184.79 g/mol. Its IUPAC name is nickel;phenoxyphosphane.

Molecular Properties

Compound Namenickel;phenoxyphosphane
PubChem CID158547426
Molecular FormulaC6H7NiOP
Molecular Weight184.79 g/mol
Exact Mass183.96
IUPAC Namenickel;phenoxyphosphane
SMILESPOc1ccccc1.[Ni]
InChIInChI=1S/C6H7OP.Ni/c8-7-6-4-2-1-3-5-6;/h1-5H,8H2;
InChIKeyHPHHPLGAGVYFSA-UHFFFAOYSA-N
XLogP1.85
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.79
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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(4-phosphanyloxyphenoxy)phosphane
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bis(decane);phenoxyphosphane
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(3-phosphanyloxyphenoxy)phosphane
CID 89228222
phenoxy hypochlorite
CID 18939078
CID 159259752
CID 159259752
potassium phenoxybenzene
CID 19858586
iron;phenoxybenzene
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azane;phenylperoxybenzene
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triphenoxymethylphosphane
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[phenoxy(phosphanyl)amino]oxybenzene
CID 67310968
potassium;hydride;phenoxybenzene
CID 173391576

Frequently Asked Questions

What is the IUPAC name of nickel;phenoxyphosphane?
The IUPAC name of nickel;phenoxyphosphane (CID 158547426) is nickel;phenoxyphosphane.
What is the SMILES notation for nickel;phenoxyphosphane?
The canonical SMILES for nickel;phenoxyphosphane is POc1ccccc1.[Ni].
What is the InChIKey of nickel;phenoxyphosphane?
The InChIKey is HPHHPLGAGVYFSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7OP.Ni/c8-7-6-4-2-1-3-5-6;/h1-5H,8H2;.
What are the key properties of nickel;phenoxyphosphane?
nickel;phenoxyphosphane has a molecular weight of 184.79 g/mol, XLogP of 1.85, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for nickel;phenoxyphosphane is sourced from PubChem (CID 158547426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).