acetonitrile;dichloro(oxo)phosphanium

C2H3Cl2NOP+ — CID 88594816

IUPACacetonitrile;dichloro(oxo)phosphanium
SMILESCC#N.O=[P+](Cl)Cl
InChIInChI=1S/C2H3N.Cl2OP/c1-2-3;1-4(2)3/h1H3;/q;+1
InChIKeyVEEHNFKRHQFINU-UHFFFAOYSA-N
MW158.93 g/mol
LogP2.65
Rot. Bonds

About acetonitrile;dichloro(oxo)phosphanium

acetonitrile;dichloro(oxo)phosphanium (PubChem CID 88594816) has the molecular formula C2H3Cl2NOP+ and a molecular weight of 158.93 g/mol. Its IUPAC name is acetonitrile;dichloro(oxo)phosphanium.

Molecular Properties

Compound Nameacetonitrile;dichloro(oxo)phosphanium
PubChem CID88594816
Molecular FormulaC2H3Cl2NOP+
Molecular Weight158.93 g/mol
Exact Mass157.93
IUPAC Nameacetonitrile;dichloro(oxo)phosphanium
SMILESCC#N.O=[P+](Cl)Cl
InChIInChI=1S/C2H3N.Cl2OP/c1-2-3;1-4(2)3/h1H3;/q;+1
InChIKeyVEEHNFKRHQFINU-UHFFFAOYSA-N
XLogP2.65
TPSA40.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.93
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

acetonitrile POCl3
CID 86618266
CID 174413604
CID 174413604

Frequently Asked Questions

What is the IUPAC name of acetonitrile;dichloro(oxo)phosphanium?
The IUPAC name of acetonitrile;dichloro(oxo)phosphanium (CID 88594816) is acetonitrile;dichloro(oxo)phosphanium.
What is the SMILES notation for acetonitrile;dichloro(oxo)phosphanium?
The canonical SMILES for acetonitrile;dichloro(oxo)phosphanium is CC#N.O=[P+](Cl)Cl.
What is the InChIKey of acetonitrile;dichloro(oxo)phosphanium?
The InChIKey is VEEHNFKRHQFINU-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H3N.Cl2OP/c1-2-3;1-4(2)3/h1H3;/q;+1.
What are the key properties of acetonitrile;dichloro(oxo)phosphanium?
acetonitrile;dichloro(oxo)phosphanium has a molecular weight of 158.93 g/mol, XLogP of 2.65, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetonitrile;dichloro(oxo)phosphanium is sourced from PubChem (CID 88594816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).