lithium;benzene;hydrobromide

C6H6BrLi — CID 172849200

IUPAClithium;benzene;hydrobromide
SMILESBr.[Li+].[c-]1ccccc1
InChIInChI=1S/C6H5.BrH.Li/c1-2-4-6-5-3-1;;/h1-5H;1H;/q-1;;+1
InChIKeyLATDARWZOWUSPY-UHFFFAOYSA-N
MW164.96 g/mol
LogP-0.93
Rot. Bonds

About lithium;benzene;hydrobromide

lithium;benzene;hydrobromide (PubChem CID 172849200) has the molecular formula C6H6BrLi and a molecular weight of 164.96 g/mol. Its IUPAC name is lithium;benzene;hydrobromide.

Molecular Properties

Compound Namelithium;benzene;hydrobromide
PubChem CID172849200
Molecular FormulaC6H6BrLi
Molecular Weight164.96 g/mol
Exact Mass163.98
IUPAC Namelithium;benzene;hydrobromide
SMILESBr.[Li+].[c-]1ccccc1
InChIInChI=1S/C6H5.BrH.Li/c1-2-4-6-5-3-1;;/h1-5H;1H;/q-1;;+1
InChIKeyLATDARWZOWUSPY-UHFFFAOYSA-N
XLogP-0.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.96
LogP ≤ 5-0.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of lithium;benzene;hydrobromide?
The IUPAC name of lithium;benzene;hydrobromide (CID 172849200) is lithium;benzene;hydrobromide.
What is the SMILES notation for lithium;benzene;hydrobromide?
The canonical SMILES for lithium;benzene;hydrobromide is Br.[Li+].[c-]1ccccc1.
What is the InChIKey of lithium;benzene;hydrobromide?
The InChIKey is LATDARWZOWUSPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5.BrH.Li/c1-2-4-6-5-3-1;;/h1-5H;1H;/q-1;;+1.
What are the key properties of lithium;benzene;hydrobromide?
lithium;benzene;hydrobromide has a molecular weight of 164.96 g/mol, XLogP of -0.93, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;benzene;hydrobromide is sourced from PubChem (CID 172849200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).