1,2-dibromoethylbenzene

C8H8Br2 — CID 7145

IUPAC1,2-dibromoethylbenzene
SMILESBrCC(Br)c1ccccc1
InChIInChI=1S/C8H8Br2/c9-6-8(10)7-4-2-1-3-5-7/h1-5,8H,6H2
InChIKeySHKKTLSDGJRCTR-UHFFFAOYSA-N
MW263.96 g/mol
LogP3.52
Rot. Bonds2

About 1,2-dibromoethylbenzene

1,2-dibromoethylbenzene (PubChem CID 7145) has the molecular formula C8H8Br2 and a molecular weight of 263.96 g/mol. Its IUPAC name is 1,2-dibromoethylbenzene.

Molecular Properties

Compound Name1,2-dibromoethylbenzene
PubChem CID7145
Molecular FormulaC8H8Br2
Molecular Weight263.96 g/mol
Exact Mass261.90
IUPAC Name1,2-dibromoethylbenzene
SMILESBrCC(Br)c1ccccc1
InChIInChI=1S/C8H8Br2/c9-6-8(10)7-4-2-1-3-5-7/h1-5,8H,6H2
InChIKeySHKKTLSDGJRCTR-UHFFFAOYSA-N
XLogP3.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.96
LogP ≤ 53.52
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 1,2-dibromoethylbenzene?
The IUPAC name of 1,2-dibromoethylbenzene (CID 7145) is 1,2-dibromoethylbenzene.
What is the SMILES notation for 1,2-dibromoethylbenzene?
The canonical SMILES for 1,2-dibromoethylbenzene is BrCC(Br)c1ccccc1.
What is the InChIKey of 1,2-dibromoethylbenzene?
The InChIKey is SHKKTLSDGJRCTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Br2/c9-6-8(10)7-4-2-1-3-5-7/h1-5,8H,6H2.
What are the key properties of 1,2-dibromoethylbenzene?
1,2-dibromoethylbenzene has a molecular weight of 263.96 g/mol, XLogP of 3.52, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dibromoethylbenzene is sourced from PubChem (CID 7145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).