trilithium;oxalyl dibromide;borate

C2BBr2Li3O5 — CID 159603330

IUPACtrilithium;oxalyl dibromide;borate
SMILESO=C(Br)C(=O)Br.[Li+].[Li+].[Li+].[O-]B([O-])[O-]
InChIInChI=1S/C2Br2O2.BO3.3Li/c3-1(5)2(4)6;2-1(3)4;;;/q;-3;3*+1
InChIKeyWQMZKASMNKGGSS-UHFFFAOYSA-N
MW295.46 g/mol
LogP-12.11
Rot. Bonds1

About trilithium;oxalyl dibromide;borate

trilithium;oxalyl dibromide;borate (PubChem CID 159603330) has the molecular formula C2BBr2Li3O5 and a molecular weight of 295.46 g/mol. Its IUPAC name is trilithium;oxalyl dibromide;borate.

Molecular Properties

Compound Nametrilithium;oxalyl dibromide;borate
PubChem CID159603330
Molecular FormulaC2BBr2Li3O5
Molecular Weight295.46 g/mol
Exact Mass293.87
IUPAC Nametrilithium;oxalyl dibromide;borate
SMILESO=C(Br)C(=O)Br.[Li+].[Li+].[Li+].[O-]B([O-])[O-]
InChIInChI=1S/C2Br2O2.BO3.3Li/c3-1(5)2(4)6;2-1(3)4;;;/q;-3;3*+1
InChIKeyWQMZKASMNKGGSS-UHFFFAOYSA-N
XLogP-12.11
TPSA103.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.46
LogP ≤ 5-12.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of trilithium;oxalyl dibromide;borate?
The IUPAC name of trilithium;oxalyl dibromide;borate (CID 159603330) is trilithium;oxalyl dibromide;borate.
What is the SMILES notation for trilithium;oxalyl dibromide;borate?
The canonical SMILES for trilithium;oxalyl dibromide;borate is O=C(Br)C(=O)Br.[Li+].[Li+].[Li+].[O-]B([O-])[O-].
What is the InChIKey of trilithium;oxalyl dibromide;borate?
The InChIKey is WQMZKASMNKGGSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C2Br2O2.BO3.3Li/c3-1(5)2(4)6;2-1(3)4;;;/q;-3;3*+1.
What are the key properties of trilithium;oxalyl dibromide;borate?
trilithium;oxalyl dibromide;borate has a molecular weight of 295.46 g/mol, XLogP of -12.11, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trilithium;oxalyl dibromide;borate is sourced from PubChem (CID 159603330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).