benzene;zinc;hydrobromide

C6H6BrZn- — CID 87204940

IUPACbenzene;zinc;hydrobromide
SMILESBr.[Zn].[c-]1ccccc1
InChIInChI=1S/C6H5.BrH.Zn/c1-2-4-6-5-3-1;;/h1-5H;1H;/q-1;;
InChIKeyAOGAGDZQQHJOKJ-UHFFFAOYSA-N
MW223.41 g/mol
LogP2.06
Rot. Bonds

About benzene;zinc;hydrobromide

benzene;zinc;hydrobromide (PubChem CID 87204940) has the molecular formula C6H6BrZn- and a molecular weight of 223.41 g/mol. Its IUPAC name is benzene;zinc;hydrobromide.

Molecular Properties

Compound Namebenzene;zinc;hydrobromide
PubChem CID87204940
Molecular FormulaC6H6BrZn-
Molecular Weight223.41 g/mol
Exact Mass220.89
IUPAC Namebenzene;zinc;hydrobromide
SMILESBr.[Zn].[c-]1ccccc1
InChIInChI=1S/C6H5.BrH.Zn/c1-2-4-6-5-3-1;;/h1-5H;1H;/q-1;;
InChIKeyAOGAGDZQQHJOKJ-UHFFFAOYSA-N
XLogP2.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.41
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of benzene;zinc;hydrobromide?
The IUPAC name of benzene;zinc;hydrobromide (CID 87204940) is benzene;zinc;hydrobromide.
What is the SMILES notation for benzene;zinc;hydrobromide?
The canonical SMILES for benzene;zinc;hydrobromide is Br.[Zn].[c-]1ccccc1.
What is the InChIKey of benzene;zinc;hydrobromide?
The InChIKey is AOGAGDZQQHJOKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5.BrH.Zn/c1-2-4-6-5-3-1;;/h1-5H;1H;/q-1;;.
What are the key properties of benzene;zinc;hydrobromide?
benzene;zinc;hydrobromide has a molecular weight of 223.41 g/mol, XLogP of 2.06, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;zinc;hydrobromide is sourced from PubChem (CID 87204940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).