oxalonitrile;phenoxyphosphane

C8H7N2OP — CID 174657403

IUPACoxalonitrile;phenoxyphosphane
SMILESN#CC#N.POc1ccccc1
InChIInChI=1S/C6H7OP.C2N2/c8-7-6-4-2-1-3-5-6;3-1-2-4/h1-5H,8H2;
InChIKeyWLENPSHZSUMNGW-UHFFFAOYSA-N
MW178.13 g/mol
LogP1.89
Rot. Bonds1

About oxalonitrile;phenoxyphosphane

oxalonitrile;phenoxyphosphane (PubChem CID 174657403) has the molecular formula C8H7N2OP and a molecular weight of 178.13 g/mol. Its IUPAC name is oxalonitrile;phenoxyphosphane.

Molecular Properties

Compound Nameoxalonitrile;phenoxyphosphane
PubChem CID174657403
Molecular FormulaC8H7N2OP
Molecular Weight178.13 g/mol
Exact Mass178.03
IUPAC Nameoxalonitrile;phenoxyphosphane
SMILESN#CC#N.POc1ccccc1
InChIInChI=1S/C6H7OP.C2N2/c8-7-6-4-2-1-3-5-6;3-1-2-4/h1-5H,8H2;
InChIKeyWLENPSHZSUMNGW-UHFFFAOYSA-N
XLogP1.89
TPSA56.81 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.13
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

nickel;phenoxyphosphane
CID 158547426
bis(decane);phenoxyphosphane
CID 91140487
anisole;cyanic acid
CID 174663500
(3-phosphanyloxyphenoxy)phosphane
CID 89228222
methane;phenyl cyanate;propane
CID 158347144
phenyl hypochlorite;titanium
CID 87675742
oxalonitrile;toluene;hydrobromide
CID 67898075
diphenyldiazene;oxalonitrile
CID 174439181
acetonitrile;phenyl acetate
CID 175488590
2-chloro-2-phenoxyacetonitrile
CID 53400486
CID 70491549
CID 70491549
4-phenoxybenzoyl cyanide
CID 20510497

Frequently Asked Questions

What is the IUPAC name of oxalonitrile;phenoxyphosphane?
The IUPAC name of oxalonitrile;phenoxyphosphane (CID 174657403) is oxalonitrile;phenoxyphosphane.
What is the SMILES notation for oxalonitrile;phenoxyphosphane?
The canonical SMILES for oxalonitrile;phenoxyphosphane is N#CC#N.POc1ccccc1.
What is the InChIKey of oxalonitrile;phenoxyphosphane?
The InChIKey is WLENPSHZSUMNGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7OP.C2N2/c8-7-6-4-2-1-3-5-6;3-1-2-4/h1-5H,8H2;.
What are the key properties of oxalonitrile;phenoxyphosphane?
oxalonitrile;phenoxyphosphane has a molecular weight of 178.13 g/mol, XLogP of 1.89, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxalonitrile;phenoxyphosphane is sourced from PubChem (CID 174657403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).