benzene;chlorozinc(1+);hydrobromide

C6H6BrClZn — CID 90199871

IUPACbenzene;chlorozinc(1+);hydrobromide
SMILESBr.Cl[Zn+].[c-]1ccccc1
InChIInChI=1S/C6H5.BrH.ClH.Zn/c1-2-4-6-5-3-1;;;/h1-5H;2*1H;/q-1;;;+2/p-1
InChIKeyNLMCYFQEMRXYFU-UHFFFAOYSA-M
MW258.86 g/mol
LogP2.75
Rot. Bonds

About benzene;chlorozinc(1+);hydrobromide

benzene;chlorozinc(1+);hydrobromide (PubChem CID 90199871) has the molecular formula C6H6BrClZn and a molecular weight of 258.86 g/mol. Its IUPAC name is benzene;chlorozinc(1+);hydrobromide.

Molecular Properties

Compound Namebenzene;chlorozinc(1+);hydrobromide
PubChem CID90199871
Molecular FormulaC6H6BrClZn
Molecular Weight258.86 g/mol
Exact Mass255.86
IUPAC Namebenzene;chlorozinc(1+);hydrobromide
SMILESBr.Cl[Zn+].[c-]1ccccc1
InChIInChI=1S/C6H5.BrH.ClH.Zn/c1-2-4-6-5-3-1;;;/h1-5H;2*1H;/q-1;;;+2/p-1
InChIKeyNLMCYFQEMRXYFU-UHFFFAOYSA-M
XLogP2.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.86
LogP ≤ 52.75
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;chlorozinc(1+);hydrobromide?
The IUPAC name of benzene;chlorozinc(1+);hydrobromide (CID 90199871) is benzene;chlorozinc(1+);hydrobromide.
What is the SMILES notation for benzene;chlorozinc(1+);hydrobromide?
The canonical SMILES for benzene;chlorozinc(1+);hydrobromide is Br.Cl[Zn+].[c-]1ccccc1.
What is the InChIKey of benzene;chlorozinc(1+);hydrobromide?
The InChIKey is NLMCYFQEMRXYFU-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H5.BrH.ClH.Zn/c1-2-4-6-5-3-1;;;/h1-5H;2*1H;/q-1;;;+2/p-1.
What are the key properties of benzene;chlorozinc(1+);hydrobromide?
benzene;chlorozinc(1+);hydrobromide has a molecular weight of 258.86 g/mol, XLogP of 2.75, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;chlorozinc(1+);hydrobromide is sourced from PubChem (CID 90199871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).