4-bromo-2-(1-bromoethyl)-1-chlorobenzene

C8H7Br2Cl — CID 155101393

IUPAC4-bromo-2-(1-bromoethyl)-1-chlorobenzene
SMILESCC(Br)c1cc(Br)ccc1Cl
InChIInChI=1S/C8H7Br2Cl/c1-5(9)7-4-6(10)2-3-8(7)11/h2-5H,1H3
InChIKeyZDEWSHWDYLQOKA-UHFFFAOYSA-N
MW298.41 g/mol
LogP4.56
Rot. Bonds1

About 4-bromo-2-(1-bromoethyl)-1-chlorobenzene

4-bromo-2-(1-bromoethyl)-1-chlorobenzene (PubChem CID 155101393) has the molecular formula C8H7Br2Cl and a molecular weight of 298.41 g/mol. Its IUPAC name is 4-bromo-2-(1-bromoethyl)-1-chlorobenzene.

Molecular Properties

Compound Name4-bromo-2-(1-bromoethyl)-1-chlorobenzene
PubChem CID155101393
Molecular FormulaC8H7Br2Cl
Molecular Weight298.41 g/mol
Exact Mass295.86
IUPAC Name4-bromo-2-(1-bromoethyl)-1-chlorobenzene
SMILESCC(Br)c1cc(Br)ccc1Cl
InChIInChI=1S/C8H7Br2Cl/c1-5(9)7-4-6(10)2-3-8(7)11/h2-5H,1H3
InChIKeyZDEWSHWDYLQOKA-UHFFFAOYSA-N
XLogP4.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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5-Bromo-2-chlorotoluene
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1-(2-Bromoethyl)-2-chlorobenzene
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4-Bromo-2-chlorotoluene
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1-Chloro-4-(1,2-dibromoethyl)benzene
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1-(1-Bromoethyl)-2-chlorobenzene
CID 19828180
4-Bromo-2-chloro-1-ethenylbenzene
CID 57842713
1-Bromo-4-chloro-2-ethenylbenzene
CID 66158069
2-Bromo-6-chlorotoluene
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5-Bromo-2-chloro-m-xylene
CID 2735555

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(1-bromoethyl)-1-chlorobenzene?
The IUPAC name of 4-bromo-2-(1-bromoethyl)-1-chlorobenzene (CID 155101393) is 4-bromo-2-(1-bromoethyl)-1-chlorobenzene.
What is the SMILES notation for 4-bromo-2-(1-bromoethyl)-1-chlorobenzene?
The canonical SMILES for 4-bromo-2-(1-bromoethyl)-1-chlorobenzene is CC(Br)c1cc(Br)ccc1Cl.
What is the InChIKey of 4-bromo-2-(1-bromoethyl)-1-chlorobenzene?
The InChIKey is ZDEWSHWDYLQOKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Br2Cl/c1-5(9)7-4-6(10)2-3-8(7)11/h2-5H,1H3.
What are the key properties of 4-bromo-2-(1-bromoethyl)-1-chlorobenzene?
4-bromo-2-(1-bromoethyl)-1-chlorobenzene has a molecular weight of 298.41 g/mol, XLogP of 4.56, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(1-bromoethyl)-1-chlorobenzene is sourced from PubChem (CID 155101393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).