1-bromo-2-chlorobenzene;chlorobenzene

C12H9BrCl2 — CID 141383825

IUPAC1-bromo-2-chlorobenzene;chlorobenzene
SMILESClc1ccccc1.Clc1ccccc1Br
InChIInChI=1S/C6H4BrCl.C6H5Cl/c7-5-3-1-2-4-6(5)8;7-6-4-2-1-3-5-6/h1-4H;1-5H
InChIKeyUIEIXYZSAHPDOU-UHFFFAOYSA-N
MW304.01 g/mol
LogP5.44
Rot. Bonds

About 1-bromo-2-chlorobenzene;chlorobenzene

1-bromo-2-chlorobenzene;chlorobenzene (PubChem CID 141383825) has the molecular formula C12H9BrCl2 and a molecular weight of 304.01 g/mol. Its IUPAC name is 1-bromo-2-chlorobenzene;chlorobenzene.

Molecular Properties

Compound Name1-bromo-2-chlorobenzene;chlorobenzene
PubChem CID141383825
Molecular FormulaC12H9BrCl2
Molecular Weight304.01 g/mol
Exact Mass301.93
IUPAC Name1-bromo-2-chlorobenzene;chlorobenzene
SMILESClc1ccccc1.Clc1ccccc1Br
InChIInChI=1S/C6H4BrCl.C6H5Cl/c7-5-3-1-2-4-6(5)8;7-6-4-2-1-3-5-6/h1-4H;1-5H
InChIKeyUIEIXYZSAHPDOU-UHFFFAOYSA-N
XLogP5.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.01
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-bromo-2-chlorobenzene;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-2-chlorobenzene;chlorobenzene?
The IUPAC name of 1-bromo-2-chlorobenzene;chlorobenzene (CID 141383825) is 1-bromo-2-chlorobenzene;chlorobenzene.
What is the SMILES notation for 1-bromo-2-chlorobenzene;chlorobenzene?
The canonical SMILES for 1-bromo-2-chlorobenzene;chlorobenzene is Clc1ccccc1.Clc1ccccc1Br.
What is the InChIKey of 1-bromo-2-chlorobenzene;chlorobenzene?
The InChIKey is UIEIXYZSAHPDOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BrCl.C6H5Cl/c7-5-3-1-2-4-6(5)8;7-6-4-2-1-3-5-6/h1-4H;1-5H.
What are the key properties of 1-bromo-2-chlorobenzene;chlorobenzene?
1-bromo-2-chlorobenzene;chlorobenzene has a molecular weight of 304.01 g/mol, XLogP of 5.44, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-chlorobenzene;chlorobenzene is sourced from PubChem (CID 141383825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).