1-bromo-4-chloro-2-ethenylbenzene

C8H6BrCl — CID 66158069

IUPAC1-bromo-4-chloro-2-ethenylbenzene
SMILESC=Cc1cc(Cl)ccc1Br
InChIInChI=1S/C8H6BrCl/c1-2-6-5-7(10)3-4-8(6)9/h2-5H,1H2
InChIKeyZFLBDKZHLRMWCE-UHFFFAOYSA-N
MW217.49 g/mol
LogP3.75
Rot. Bonds1

About 1-bromo-4-chloro-2-ethenylbenzene

1-bromo-4-chloro-2-ethenylbenzene (PubChem CID 66158069) has the molecular formula C8H6BrCl and a molecular weight of 217.49 g/mol. Its IUPAC name is 1-bromo-4-chloro-2-ethenylbenzene.

Molecular Properties

Compound Name1-bromo-4-chloro-2-ethenylbenzene
PubChem CID66158069
Molecular FormulaC8H6BrCl
Molecular Weight217.49 g/mol
Exact Mass215.93
IUPAC Name1-bromo-4-chloro-2-ethenylbenzene
SMILESC=Cc1cc(Cl)ccc1Br
InChIInChI=1S/C8H6BrCl/c1-2-6-5-7(10)3-4-8(6)9/h2-5H,1H2
InChIKeyZFLBDKZHLRMWCE-UHFFFAOYSA-N
XLogP3.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.49
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-bromo-4-chloro-2-ethenylbenzene 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 1-bromo-4-chloro-2-ethenylbenzene?
The IUPAC name of 1-bromo-4-chloro-2-ethenylbenzene (CID 66158069) is 1-bromo-4-chloro-2-ethenylbenzene.
What is the SMILES notation for 1-bromo-4-chloro-2-ethenylbenzene?
The canonical SMILES for 1-bromo-4-chloro-2-ethenylbenzene is C=Cc1cc(Cl)ccc1Br.
What is the InChIKey of 1-bromo-4-chloro-2-ethenylbenzene?
The InChIKey is ZFLBDKZHLRMWCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrCl/c1-2-6-5-7(10)3-4-8(6)9/h2-5H,1H2.
What are the key properties of 1-bromo-4-chloro-2-ethenylbenzene?
1-bromo-4-chloro-2-ethenylbenzene has a molecular weight of 217.49 g/mol, XLogP of 3.75, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-chloro-2-ethenylbenzene is sourced from PubChem (CID 66158069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).