potassium;sodium;bis(2-chloroacetate)

C4H4Cl2KNaO4 — CID 157286926

IUPACpotassium;sodium;bis(2-chloroacetate)
SMILESO=C([O-])CCl.O=C([O-])CCl.[K+].[Na+]
InChIInChI=1S/2C2H3ClO2.K.Na/c2*3-1-2(4)5;;/h2*1H2,(H,4,5);;/q;;2*+1/p-2
InChIKeyBAIMLXCONUJIPT-UHFFFAOYSA-L
MW249.07 g/mol
LogP-8.04
Rot. Bonds2

About potassium;sodium;bis(2-chloroacetate)

potassium;sodium;bis(2-chloroacetate) (PubChem CID 157286926) has the molecular formula C4H4Cl2KNaO4 and a molecular weight of 249.07 g/mol. Its IUPAC name is potassium;sodium;bis(2-chloroacetate).

Molecular Properties

Compound Namepotassium;sodium;bis(2-chloroacetate)
PubChem CID157286926
Molecular FormulaC4H4Cl2KNaO4
Molecular Weight249.07 g/mol
Exact Mass247.90
IUPAC Namepotassium;sodium;bis(2-chloroacetate)
SMILESO=C([O-])CCl.O=C([O-])CCl.[K+].[Na+]
InChIInChI=1S/2C2H3ClO2.K.Na/c2*3-1-2(4)5;;/h2*1H2,(H,4,5);;/q;;2*+1/p-2
InChIKeyBAIMLXCONUJIPT-UHFFFAOYSA-L
XLogP-8.04
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.07
LogP ≤ 5-8.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of potassium;sodium;bis(2-chloroacetate)?
The IUPAC name of potassium;sodium;bis(2-chloroacetate) (CID 157286926) is potassium;sodium;bis(2-chloroacetate).
What is the SMILES notation for potassium;sodium;bis(2-chloroacetate)?
The canonical SMILES for potassium;sodium;bis(2-chloroacetate) is O=C([O-])CCl.O=C([O-])CCl.[K+].[Na+].
What is the InChIKey of potassium;sodium;bis(2-chloroacetate)?
The InChIKey is BAIMLXCONUJIPT-UHFFFAOYSA-L. The full InChI is InChI=1S/2C2H3ClO2.K.Na/c2*3-1-2(4)5;;/h2*1H2,(H,4,5);;/q;;2*+1/p-2.
What are the key properties of potassium;sodium;bis(2-chloroacetate)?
potassium;sodium;bis(2-chloroacetate) has a molecular weight of 249.07 g/mol, XLogP of -8.04, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;sodium;bis(2-chloroacetate) is sourced from PubChem (CID 157286926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).