1-(1-bromoethyl)-2-chlorobenzene

C8H8BrCl — CID 19828180

IUPAC1-(1-bromoethyl)-2-chlorobenzene
SMILESCC(Br)c1ccccc1Cl
InChIInChI=1S/C8H8BrCl/c1-6(9)7-4-2-3-5-8(7)10/h2-6H,1H3
InChIKeyQYKKDCRHMDKWFK-UHFFFAOYSA-N
MW219.51 g/mol
LogP3.80
Rot. Bonds1

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

1-(1-bromoethyl)-2-chlorobenzene (PubChem CID 19828180) has the molecular formula C8H8BrCl and a molecular weight of 219.51 g/mol. Its IUPAC name is 1-(1-bromoethyl)-2-chlorobenzene.

Molecular Properties

Compound Name1-(1-bromoethyl)-2-chlorobenzene
PubChem CID19828180
Molecular FormulaC8H8BrCl
Molecular Weight219.51 g/mol
Exact Mass217.95
IUPAC Name1-(1-bromoethyl)-2-chlorobenzene
SMILESCC(Br)c1ccccc1Cl
InChIInChI=1S/C8H8BrCl/c1-6(9)7-4-2-3-5-8(7)10/h2-6H,1H3
InChIKeyQYKKDCRHMDKWFK-UHFFFAOYSA-N
XLogP3.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.51
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-(1-bromoethyl)-2-chlorobenzene 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-(1-bromoethyl)-2-chlorobenzene?
The IUPAC name of 1-(1-bromoethyl)-2-chlorobenzene (CID 19828180) is 1-(1-bromoethyl)-2-chlorobenzene.
What is the SMILES notation for 1-(1-bromoethyl)-2-chlorobenzene?
The canonical SMILES for 1-(1-bromoethyl)-2-chlorobenzene is CC(Br)c1ccccc1Cl.
What is the InChIKey of 1-(1-bromoethyl)-2-chlorobenzene?
The InChIKey is QYKKDCRHMDKWFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrCl/c1-6(9)7-4-2-3-5-8(7)10/h2-6H,1H3.
What are the key properties of 1-(1-bromoethyl)-2-chlorobenzene?
1-(1-bromoethyl)-2-chlorobenzene has a molecular weight of 219.51 g/mol, XLogP of 3.80, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-bromoethyl)-2-chlorobenzene is sourced from PubChem (CID 19828180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).