2-bromo-4-chloro-1-ethenylbenzene

C8H6BrCl — CID 59327259

IUPAC2-bromo-4-chloro-1-ethenylbenzene
SMILESC=Cc1ccc(Cl)cc1Br
InChIInChI=1S/C8H6BrCl/c1-2-6-3-4-7(10)5-8(6)9/h2-5H,1H2
InChIKeyRQYHFZZVFALSDZ-UHFFFAOYSA-N
MW217.49 g/mol
LogP3.75
Rot. Bonds1

About 2-bromo-4-chloro-1-ethenylbenzene

2-bromo-4-chloro-1-ethenylbenzene (PubChem CID 59327259) has the molecular formula C8H6BrCl and a molecular weight of 217.49 g/mol. Its IUPAC name is 2-bromo-4-chloro-1-ethenylbenzene.

Molecular Properties

Compound Name2-bromo-4-chloro-1-ethenylbenzene
PubChem CID59327259
Molecular FormulaC8H6BrCl
Molecular Weight217.49 g/mol
Exact Mass215.93
IUPAC Name2-bromo-4-chloro-1-ethenylbenzene
SMILESC=Cc1ccc(Cl)cc1Br
InChIInChI=1S/C8H6BrCl/c1-2-6-3-4-7(10)5-8(6)9/h2-5H,1H2
InChIKeyRQYHFZZVFALSDZ-UHFFFAOYSA-N
XLogP3.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.49
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-chloro-1-ethenylbenzene?
The IUPAC name of 2-bromo-4-chloro-1-ethenylbenzene (CID 59327259) is 2-bromo-4-chloro-1-ethenylbenzene.
What is the SMILES notation for 2-bromo-4-chloro-1-ethenylbenzene?
The canonical SMILES for 2-bromo-4-chloro-1-ethenylbenzene is C=Cc1ccc(Cl)cc1Br.
What is the InChIKey of 2-bromo-4-chloro-1-ethenylbenzene?
The InChIKey is RQYHFZZVFALSDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrCl/c1-2-6-3-4-7(10)5-8(6)9/h2-5H,1H2.
What are the key properties of 2-bromo-4-chloro-1-ethenylbenzene?
2-bromo-4-chloro-1-ethenylbenzene has a molecular weight of 217.49 g/mol, XLogP of 3.75, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-chloro-1-ethenylbenzene is sourced from PubChem (CID 59327259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).