2-(bromomethyl)-1,3-dichlorobenzene

C7H5BrCl2 — CID 30159

IUPAC2-(bromomethyl)-1,3-dichlorobenzene
SMILESClc1cccc(Cl)c1CBr
InChIInChI=1S/C7H5BrCl2/c8-4-5-6(9)2-1-3-7(5)10/h1-3H,4H2
InChIKeyPDFGFQUSSYSWNI-UHFFFAOYSA-N
MW239.93 g/mol
LogP3.89
Rot. Bonds1

About 2-(bromomethyl)-1,3-dichlorobenzene

2-(bromomethyl)-1,3-dichlorobenzene (PubChem CID 30159) has the molecular formula C7H5BrCl2 and a molecular weight of 239.93 g/mol. Its IUPAC name is 2-(bromomethyl)-1,3-dichlorobenzene.

Molecular Properties

Compound Name2-(bromomethyl)-1,3-dichlorobenzene
PubChem CID30159
Molecular FormulaC7H5BrCl2
Molecular Weight239.93 g/mol
Exact Mass237.90
IUPAC Name2-(bromomethyl)-1,3-dichlorobenzene
SMILESClc1cccc(Cl)c1CBr
InChIInChI=1S/C7H5BrCl2/c8-4-5-6(9)2-1-3-7(5)10/h1-3H,4H2
InChIKeyPDFGFQUSSYSWNI-UHFFFAOYSA-N
XLogP3.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.93
LogP ≤ 53.89
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 2-(bromomethyl)-1,3-dichlorobenzene?
The IUPAC name of 2-(bromomethyl)-1,3-dichlorobenzene (CID 30159) is 2-(bromomethyl)-1,3-dichlorobenzene.
What is the SMILES notation for 2-(bromomethyl)-1,3-dichlorobenzene?
The canonical SMILES for 2-(bromomethyl)-1,3-dichlorobenzene is Clc1cccc(Cl)c1CBr.
What is the InChIKey of 2-(bromomethyl)-1,3-dichlorobenzene?
The InChIKey is PDFGFQUSSYSWNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrCl2/c8-4-5-6(9)2-1-3-7(5)10/h1-3H,4H2.
What are the key properties of 2-(bromomethyl)-1,3-dichlorobenzene?
2-(bromomethyl)-1,3-dichlorobenzene has a molecular weight of 239.93 g/mol, XLogP of 3.89, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-1,3-dichlorobenzene is sourced from PubChem (CID 30159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).