1-(2-bromoethyl)-4-chlorobenzene

C8H8BrCl — CID 23029

IUPAC1-(2-bromoethyl)-4-chlorobenzene
SMILESClc1ccc(CCBr)cc1
InChIInChI=1S/C8H8BrCl/c9-6-5-7-1-3-8(10)4-2-7/h1-4H,5-6H2
InChIKeyYAFMYKFAUNCQPU-UHFFFAOYSA-N
MW219.51 g/mol
LogP3.28
Rot. Bonds2

About 1-(2-bromoethyl)-4-chlorobenzene

1-(2-bromoethyl)-4-chlorobenzene (PubChem CID 23029) has the molecular formula C8H8BrCl and a molecular weight of 219.51 g/mol. Its IUPAC name is 1-(2-bromoethyl)-4-chlorobenzene.

Molecular Properties

Compound Name1-(2-bromoethyl)-4-chlorobenzene
PubChem CID23029
Molecular FormulaC8H8BrCl
Molecular Weight219.51 g/mol
Exact Mass217.95
IUPAC Name1-(2-bromoethyl)-4-chlorobenzene
SMILESClc1ccc(CCBr)cc1
InChIInChI=1S/C8H8BrCl/c9-6-5-7-1-3-8(10)4-2-7/h1-4H,5-6H2
InChIKeyYAFMYKFAUNCQPU-UHFFFAOYSA-N
XLogP3.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.51
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bromoethyl)-4-chlorobenzene?
The IUPAC name of 1-(2-bromoethyl)-4-chlorobenzene (CID 23029) is 1-(2-bromoethyl)-4-chlorobenzene.
What is the SMILES notation for 1-(2-bromoethyl)-4-chlorobenzene?
The canonical SMILES for 1-(2-bromoethyl)-4-chlorobenzene is Clc1ccc(CCBr)cc1.
What is the InChIKey of 1-(2-bromoethyl)-4-chlorobenzene?
The InChIKey is YAFMYKFAUNCQPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrCl/c9-6-5-7-1-3-8(10)4-2-7/h1-4H,5-6H2.
What are the key properties of 1-(2-bromoethyl)-4-chlorobenzene?
1-(2-bromoethyl)-4-chlorobenzene has a molecular weight of 219.51 g/mol, XLogP of 3.28, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromoethyl)-4-chlorobenzene is sourced from PubChem (CID 23029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).