1-(bromomethyl)-3,5-dichlorobenzene

C7H5BrCl2 — CID 12583978

IUPAC1-(bromomethyl)-3,5-dichlorobenzene
SMILESClc1cc(Cl)cc(CBr)c1
InChIInChI=1S/C7H5BrCl2/c8-4-5-1-6(9)3-7(10)2-5/h1-3H,4H2
InChIKeyCTJIGYSODYOMGI-UHFFFAOYSA-N
MW239.93 g/mol
LogP3.89
Rot. Bonds1

About 1-(bromomethyl)-3,5-dichlorobenzene

1-(bromomethyl)-3,5-dichlorobenzene (PubChem CID 12583978) has the molecular formula C7H5BrCl2 and a molecular weight of 239.93 g/mol. Its IUPAC name is 1-(bromomethyl)-3,5-dichlorobenzene.

Molecular Properties

Compound Name1-(bromomethyl)-3,5-dichlorobenzene
PubChem CID12583978
Molecular FormulaC7H5BrCl2
Molecular Weight239.93 g/mol
Exact Mass237.90
IUPAC Name1-(bromomethyl)-3,5-dichlorobenzene
SMILESClc1cc(Cl)cc(CBr)c1
InChIInChI=1S/C7H5BrCl2/c8-4-5-1-6(9)3-7(10)2-5/h1-3H,4H2
InChIKeyCTJIGYSODYOMGI-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 1-(bromomethyl)-3,5-dichlorobenzene?
The IUPAC name of 1-(bromomethyl)-3,5-dichlorobenzene (CID 12583978) is 1-(bromomethyl)-3,5-dichlorobenzene.
What is the SMILES notation for 1-(bromomethyl)-3,5-dichlorobenzene?
The canonical SMILES for 1-(bromomethyl)-3,5-dichlorobenzene is Clc1cc(Cl)cc(CBr)c1.
What is the InChIKey of 1-(bromomethyl)-3,5-dichlorobenzene?
The InChIKey is CTJIGYSODYOMGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrCl2/c8-4-5-1-6(9)3-7(10)2-5/h1-3H,4H2.
What are the key properties of 1-(bromomethyl)-3,5-dichlorobenzene?
1-(bromomethyl)-3,5-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 1-(bromomethyl)-3,5-dichlorobenzene is sourced from PubChem (CID 12583978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).