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

C8H7Br2Cl — CID 130505859

IUPAC1-bromo-2-(2-bromoethyl)-3-chlorobenzene
SMILESClc1cccc(Br)c1CCBr
InChIInChI=1S/C8H7Br2Cl/c9-5-4-6-7(10)2-1-3-8(6)11/h1-3H,4-5H2
InChIKeyUIYRCCOQSBMHTF-UHFFFAOYSA-N
MW298.41 g/mol
LogP4.04
Rot. Bonds2

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

1-bromo-2-(2-bromoethyl)-3-chlorobenzene (PubChem CID 130505859) has the molecular formula C8H7Br2Cl and a molecular weight of 298.41 g/mol. Its IUPAC name is 1-bromo-2-(2-bromoethyl)-3-chlorobenzene.

Molecular Properties

Compound Name1-bromo-2-(2-bromoethyl)-3-chlorobenzene
PubChem CID130505859
Molecular FormulaC8H7Br2Cl
Molecular Weight298.41 g/mol
Exact Mass295.86
IUPAC Name1-bromo-2-(2-bromoethyl)-3-chlorobenzene
SMILESClc1cccc(Br)c1CCBr
InChIInChI=1S/C8H7Br2Cl/c9-5-4-6-7(10)2-1-3-8(6)11/h1-3H,4-5H2
InChIKeyUIYRCCOQSBMHTF-UHFFFAOYSA-N
XLogP4.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 54.04
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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4-Bromo-2-chlorotoluene
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2-Bromo-2'-chloro-1,1'-biphenyl
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CID 19828180
1-Bromo-3-chloro-2-(trifluoromethyl)benzene
CID 20269851
4-Bromo-2-chloro-1-ethenylbenzene
CID 57842713
1-Bromo-4-chloro-2-ethenylbenzene
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2-Bromo-6-chlorotoluene
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Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-(2-bromoethyl)-3-chlorobenzene?
The IUPAC name of 1-bromo-2-(2-bromoethyl)-3-chlorobenzene (CID 130505859) is 1-bromo-2-(2-bromoethyl)-3-chlorobenzene.
What is the SMILES notation for 1-bromo-2-(2-bromoethyl)-3-chlorobenzene?
The canonical SMILES for 1-bromo-2-(2-bromoethyl)-3-chlorobenzene is Clc1cccc(Br)c1CCBr.
What is the InChIKey of 1-bromo-2-(2-bromoethyl)-3-chlorobenzene?
The InChIKey is UIYRCCOQSBMHTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Br2Cl/c9-5-4-6-7(10)2-1-3-8(6)11/h1-3H,4-5H2.
What are the key properties of 1-bromo-2-(2-bromoethyl)-3-chlorobenzene?
1-bromo-2-(2-bromoethyl)-3-chlorobenzene has a molecular weight of 298.41 g/mol, XLogP of 4.04, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-(2-bromoethyl)-3-chlorobenzene is sourced from PubChem (CID 130505859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).