potassium;chlorooxyboronic acid;hydride

H3BClKO3 — CID 173014340

IUPACpotassium;chlorooxyboronic acid;hydride
SMILESOB(O)OCl.[H-].[K+]
InChIInChI=1S/BClH2O3.K.H/c2-5-1(3)4;;/h3-4H;;/q;+1;-1
InChIKeySUYRLKOAIJOCEY-UHFFFAOYSA-N
MW136.38 g/mol
LogP-3.76
Rot. Bonds1

About potassium;chlorooxyboronic acid;hydride

potassium;chlorooxyboronic acid;hydride (PubChem CID 173014340) has the molecular formula H3BClKO3 and a molecular weight of 136.38 g/mol. Its IUPAC name is potassium;chlorooxyboronic acid;hydride.

Molecular Properties

Compound Namepotassium;chlorooxyboronic acid;hydride
PubChem CID173014340
Molecular FormulaH3BClKO3
Molecular Weight136.38 g/mol
Exact Mass135.95
IUPAC Namepotassium;chlorooxyboronic acid;hydride
SMILESOB(O)OCl.[H-].[K+]
InChIInChI=1S/BClH2O3.K.H/c2-5-1(3)4;;/h3-4H;;/q;+1;-1
InChIKeySUYRLKOAIJOCEY-UHFFFAOYSA-N
XLogP-3.76
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.38
LogP ≤ 5-3.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of potassium;chlorooxyboronic acid;hydride?
The IUPAC name of potassium;chlorooxyboronic acid;hydride (CID 173014340) is potassium;chlorooxyboronic acid;hydride.
What is the SMILES notation for potassium;chlorooxyboronic acid;hydride?
The canonical SMILES for potassium;chlorooxyboronic acid;hydride is OB(O)OCl.[H-].[K+].
What is the InChIKey of potassium;chlorooxyboronic acid;hydride?
The InChIKey is SUYRLKOAIJOCEY-UHFFFAOYSA-N. The full InChI is InChI=1S/BClH2O3.K.H/c2-5-1(3)4;;/h3-4H;;/q;+1;-1.
What are the key properties of potassium;chlorooxyboronic acid;hydride?
potassium;chlorooxyboronic acid;hydride has a molecular weight of 136.38 g/mol, XLogP of -3.76, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;chlorooxyboronic acid;hydride is sourced from PubChem (CID 173014340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).