1-bromo-3-chlorobenzene

C6H4BrCl — CID 7928

IUPAC1-bromo-3-chlorobenzene
SMILESClc1cccc(Br)c1
InChIInChI=1S/C6H4BrCl/c7-5-2-1-3-6(8)4-5/h1-4H
InChIKeyJRGGUPZKKTVKOV-UHFFFAOYSA-N
MW191.46 g/mol
LogP3.10
Rot. Bonds

About 1-bromo-3-chlorobenzene

1-bromo-3-chlorobenzene (PubChem CID 7928) has the molecular formula C6H4BrCl and a molecular weight of 191.46 g/mol. Its IUPAC name is 1-bromo-3-chlorobenzene.

Molecular Properties

Compound Name1-bromo-3-chlorobenzene
PubChem CID7928
Molecular FormulaC6H4BrCl
Molecular Weight191.46 g/mol
Exact Mass189.92
IUPAC Name1-bromo-3-chlorobenzene
SMILESClc1cccc(Br)c1
InChIInChI=1S/C6H4BrCl/c7-5-2-1-3-6(8)4-5/h1-4H
InChIKeyJRGGUPZKKTVKOV-UHFFFAOYSA-N
XLogP3.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.46
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-bromo-3-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-bromo-3-chlorobenzene?
The IUPAC name of 1-bromo-3-chlorobenzene (CID 7928) is 1-bromo-3-chlorobenzene.
What is the SMILES notation for 1-bromo-3-chlorobenzene?
The canonical SMILES for 1-bromo-3-chlorobenzene is Clc1cccc(Br)c1.
What is the InChIKey of 1-bromo-3-chlorobenzene?
The InChIKey is JRGGUPZKKTVKOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BrCl/c7-5-2-1-3-6(8)4-5/h1-4H.
What are the key properties of 1-bromo-3-chlorobenzene?
1-bromo-3-chlorobenzene has a molecular weight of 191.46 g/mol, XLogP of 3.10, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-chlorobenzene is sourced from PubChem (CID 7928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).