zinc;1-bromo-4-ethylbenzene;bromide

C8H8Br2Zn — CID 175687817

IUPACzinc;1-bromo-4-ethylbenzene;bromide
SMILES[Br-].[CH2-]Cc1ccc(Br)cc1.[Zn+2]
InChIInChI=1S/C8H8Br.BrH.Zn/c1-2-7-3-5-8(9)6-4-7;;/h3-6H,1-2H2;1H;/q-1;;+2/p-1
InChIKeyRDKMYNHVNXGYDQ-UHFFFAOYSA-M
MW329.35 g/mol
LogP-0.17
Rot. Bonds1

About zinc;1-bromo-4-ethylbenzene;bromide

zinc;1-bromo-4-ethylbenzene;bromide (PubChem CID 175687817) has the molecular formula C8H8Br2Zn and a molecular weight of 329.35 g/mol. Its IUPAC name is zinc;1-bromo-4-ethylbenzene;bromide.

Molecular Properties

Compound Namezinc;1-bromo-4-ethylbenzene;bromide
PubChem CID175687817
Molecular FormulaC8H8Br2Zn
Molecular Weight329.35 g/mol
Exact Mass325.83
IUPAC Namezinc;1-bromo-4-ethylbenzene;bromide
SMILES[Br-].[CH2-]Cc1ccc(Br)cc1.[Zn+2]
InChIInChI=1S/C8H8Br.BrH.Zn/c1-2-7-3-5-8(9)6-4-7;;/h3-6H,1-2H2;1H;/q-1;;+2/p-1
InChIKeyRDKMYNHVNXGYDQ-UHFFFAOYSA-M
XLogP-0.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.35
LogP ≤ 5-0.17
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'}

Analyze zinc;1-bromo-4-ethylbenzene;bromide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of zinc;1-bromo-4-ethylbenzene;bromide?
The IUPAC name of zinc;1-bromo-4-ethylbenzene;bromide (CID 175687817) is zinc;1-bromo-4-ethylbenzene;bromide.
What is the SMILES notation for zinc;1-bromo-4-ethylbenzene;bromide?
The canonical SMILES for zinc;1-bromo-4-ethylbenzene;bromide is [Br-].[CH2-]Cc1ccc(Br)cc1.[Zn+2].
What is the InChIKey of zinc;1-bromo-4-ethylbenzene;bromide?
The InChIKey is RDKMYNHVNXGYDQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H8Br.BrH.Zn/c1-2-7-3-5-8(9)6-4-7;;/h3-6H,1-2H2;1H;/q-1;;+2/p-1.
What are the key properties of zinc;1-bromo-4-ethylbenzene;bromide?
zinc;1-bromo-4-ethylbenzene;bromide has a molecular weight of 329.35 g/mol, XLogP of -0.17, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for zinc;1-bromo-4-ethylbenzene;bromide is sourced from PubChem (CID 175687817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).