1-bromo-3-(bromomethyl)-5-chlorobenzene

C7H5Br2Cl — CID 22324264

IUPAC1-bromo-3-(bromomethyl)-5-chlorobenzene
SMILESClc1cc(Br)cc(CBr)c1
InChIInChI=1S/C7H5Br2Cl/c8-4-5-1-6(9)3-7(10)2-5/h1-3H,4H2
InChIKeyJDJGQVIVJNGFPH-UHFFFAOYSA-N
MW284.38 g/mol
LogP4.00
Rot. Bonds1

About 1-bromo-3-(bromomethyl)-5-chlorobenzene

1-bromo-3-(bromomethyl)-5-chlorobenzene (PubChem CID 22324264) has the molecular formula C7H5Br2Cl and a molecular weight of 284.38 g/mol. Its IUPAC name is 1-bromo-3-(bromomethyl)-5-chlorobenzene.

Molecular Properties

Compound Name1-bromo-3-(bromomethyl)-5-chlorobenzene
PubChem CID22324264
Molecular FormulaC7H5Br2Cl
Molecular Weight284.38 g/mol
Exact Mass281.84
IUPAC Name1-bromo-3-(bromomethyl)-5-chlorobenzene
SMILESClc1cc(Br)cc(CBr)c1
InChIInChI=1S/C7H5Br2Cl/c8-4-5-1-6(9)3-7(10)2-5/h1-3H,4H2
InChIKeyJDJGQVIVJNGFPH-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'}

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-(bromomethyl)-5-chlorobenzene?
The IUPAC name of 1-bromo-3-(bromomethyl)-5-chlorobenzene (CID 22324264) is 1-bromo-3-(bromomethyl)-5-chlorobenzene.
What is the SMILES notation for 1-bromo-3-(bromomethyl)-5-chlorobenzene?
The canonical SMILES for 1-bromo-3-(bromomethyl)-5-chlorobenzene is Clc1cc(Br)cc(CBr)c1.
What is the InChIKey of 1-bromo-3-(bromomethyl)-5-chlorobenzene?
The InChIKey is JDJGQVIVJNGFPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5Br2Cl/c8-4-5-1-6(9)3-7(10)2-5/h1-3H,4H2.
What are the key properties of 1-bromo-3-(bromomethyl)-5-chlorobenzene?
1-bromo-3-(bromomethyl)-5-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 1-bromo-3-(bromomethyl)-5-chlorobenzene is sourced from PubChem (CID 22324264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).