bromooxy-(cyclobuten-1-yloxy)-oxophosphanium

C4H5BrO3P+ — CID 174566959

IUPACbromooxy-(cyclobuten-1-yloxy)-oxophosphanium
SMILESO=[P+](OBr)OC1=CCC1
InChIInChI=1S/C4H5BrO3P/c5-8-9(6)7-4-2-1-3-4/h2H,1,3H2/q+1
InChIKeyCJTFPAAXAZOAQE-UHFFFAOYSA-N
MW211.96 g/mol
LogP2.66
Rot. Bonds3

About bromooxy-(cyclobuten-1-yloxy)-oxophosphanium

bromooxy-(cyclobuten-1-yloxy)-oxophosphanium (PubChem CID 174566959) has the molecular formula C4H5BrO3P+ and a molecular weight of 211.96 g/mol. Its IUPAC name is bromooxy-(cyclobuten-1-yloxy)-oxophosphanium.

Molecular Properties

Compound Namebromooxy-(cyclobuten-1-yloxy)-oxophosphanium
PubChem CID174566959
Molecular FormulaC4H5BrO3P+
Molecular Weight211.96 g/mol
Exact Mass210.92
IUPAC Namebromooxy-(cyclobuten-1-yloxy)-oxophosphanium
SMILESO=[P+](OBr)OC1=CCC1
InChIInChI=1S/C4H5BrO3P/c5-8-9(6)7-4-2-1-3-4/h2H,1,3H2/q+1
InChIKeyCJTFPAAXAZOAQE-UHFFFAOYSA-N
XLogP2.66
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.96
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bromooxy-(cyclobuten-1-yloxy)-oxophosphanium?
The IUPAC name of bromooxy-(cyclobuten-1-yloxy)-oxophosphanium (CID 174566959) is bromooxy-(cyclobuten-1-yloxy)-oxophosphanium.
What is the SMILES notation for bromooxy-(cyclobuten-1-yloxy)-oxophosphanium?
The canonical SMILES for bromooxy-(cyclobuten-1-yloxy)-oxophosphanium is O=[P+](OBr)OC1=CCC1.
What is the InChIKey of bromooxy-(cyclobuten-1-yloxy)-oxophosphanium?
The InChIKey is CJTFPAAXAZOAQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5BrO3P/c5-8-9(6)7-4-2-1-3-4/h2H,1,3H2/q+1.
What are the key properties of bromooxy-(cyclobuten-1-yloxy)-oxophosphanium?
bromooxy-(cyclobuten-1-yloxy)-oxophosphanium has a molecular weight of 211.96 g/mol, XLogP of 2.66, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bromooxy-(cyclobuten-1-yloxy)-oxophosphanium is sourced from PubChem (CID 174566959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).