zinc;ethenylbenzene;bromide

C8H7BrZn — CID 87245695

IUPACzinc;ethenylbenzene;bromide
SMILES[Br-].[H]/[C-]=C\c1ccccc1.[Zn+2]
InChIInChI=1S/C8H7.BrH.Zn/c1-2-8-6-4-3-5-7-8;;/h1-7H;1H;/q-1;;+2/p-1
InChIKeyXTAPDCLUQXYAQC-UHFFFAOYSA-M
MW248.44 g/mol
LogP-0.87
Rot. Bonds1

About zinc;ethenylbenzene;bromide

zinc;ethenylbenzene;bromide (PubChem CID 87245695) has the molecular formula C8H7BrZn and a molecular weight of 248.44 g/mol. Its IUPAC name is zinc;ethenylbenzene;bromide.

Molecular Properties

Compound Namezinc;ethenylbenzene;bromide
PubChem CID87245695
Molecular FormulaC8H7BrZn
Molecular Weight248.44 g/mol
Exact Mass245.90
IUPAC Namezinc;ethenylbenzene;bromide
SMILES[Br-].[H]/[C-]=C\c1ccccc1.[Zn+2]
InChIInChI=1S/C8H7.BrH.Zn/c1-2-8-6-4-3-5-7-8;;/h1-7H;1H;/q-1;;+2/p-1
InChIKeyXTAPDCLUQXYAQC-UHFFFAOYSA-M
XLogP-0.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.44
LogP ≤ 5-0.87
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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Related Compounds

Biphenyl
CID 7095
Toluene
CID 1140
O-Xylene
CID 7237
Alpha-Methylstyrene
CID 7407
Ethylbenzene
CID 7500
Styrene
CID 7501
M-Xylene
CID 7929
P-Xylene
CID 7809
Indene
CID 7219
Cumene
CID 7406
Butylbenzene
CID 7705
1-Ethenyl-4-methylbenzene
CID 12161

Frequently Asked Questions

What is the IUPAC name of zinc;ethenylbenzene;bromide?
The IUPAC name of zinc;ethenylbenzene;bromide (CID 87245695) is zinc;ethenylbenzene;bromide.
What is the SMILES notation for zinc;ethenylbenzene;bromide?
The canonical SMILES for zinc;ethenylbenzene;bromide is [Br-].[H]/[C-]=C\c1ccccc1.[Zn+2].
What is the InChIKey of zinc;ethenylbenzene;bromide?
The InChIKey is XTAPDCLUQXYAQC-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H7.BrH.Zn/c1-2-8-6-4-3-5-7-8;;/h1-7H;1H;/q-1;;+2/p-1.
What are the key properties of zinc;ethenylbenzene;bromide?
zinc;ethenylbenzene;bromide has a molecular weight of 248.44 g/mol, XLogP of -0.87, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for zinc;ethenylbenzene;bromide is sourced from PubChem (CID 87245695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).