2-bromo-1-(bromomethyl)-3-chlorobenzene

C7H5Br2Cl — CID 23289004

IUPAC2-bromo-1-(bromomethyl)-3-chlorobenzene
SMILESClc1cccc(CBr)c1Br
InChIInChI=1S/C7H5Br2Cl/c8-4-5-2-1-3-6(10)7(5)9/h1-3H,4H2
InChIKeyWXOCIVQFRGGCER-UHFFFAOYSA-N
MW284.38 g/mol
LogP4.00
Rot. Bonds1

About 2-bromo-1-(bromomethyl)-3-chlorobenzene

2-bromo-1-(bromomethyl)-3-chlorobenzene (PubChem CID 23289004) has the molecular formula C7H5Br2Cl and a molecular weight of 284.38 g/mol. Its IUPAC name is 2-bromo-1-(bromomethyl)-3-chlorobenzene.

Molecular Properties

Compound Name2-bromo-1-(bromomethyl)-3-chlorobenzene
PubChem CID23289004
Molecular FormulaC7H5Br2Cl
Molecular Weight284.38 g/mol
Exact Mass281.84
IUPAC Name2-bromo-1-(bromomethyl)-3-chlorobenzene
SMILESClc1cccc(CBr)c1Br
InChIInChI=1S/C7H5Br2Cl/c8-4-5-2-1-3-6(10)7(5)9/h1-3H,4H2
InChIKeyWXOCIVQFRGGCER-UHFFFAOYSA-N
XLogP4.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 2-bromo-1-(bromomethyl)-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 2-bromo-1-(bromomethyl)-3-chlorobenzene?
The IUPAC name of 2-bromo-1-(bromomethyl)-3-chlorobenzene (CID 23289004) is 2-bromo-1-(bromomethyl)-3-chlorobenzene.
What is the SMILES notation for 2-bromo-1-(bromomethyl)-3-chlorobenzene?
The canonical SMILES for 2-bromo-1-(bromomethyl)-3-chlorobenzene is Clc1cccc(CBr)c1Br.
What is the InChIKey of 2-bromo-1-(bromomethyl)-3-chlorobenzene?
The InChIKey is WXOCIVQFRGGCER-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5Br2Cl/c8-4-5-2-1-3-6(10)7(5)9/h1-3H,4H2.
What are the key properties of 2-bromo-1-(bromomethyl)-3-chlorobenzene?
2-bromo-1-(bromomethyl)-3-chlorobenzene has a molecular weight of 284.38 g/mol, XLogP of 4.00, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-(bromomethyl)-3-chlorobenzene is sourced from PubChem (CID 23289004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).