1-[(E)-2-bromoethenyl]-4-chlorobenzene

C8H6BrCl — CID 5372382

IUPAC1-[(E)-2-bromoethenyl]-4-chlorobenzene
SMILESClc1ccc(/C=C/Br)cc1
InChIInChI=1S/C8H6BrCl/c9-6-5-7-1-3-8(10)4-2-7/h1-6H/b6-5+
InChIKeyZTBMGKTZOOAZBH-AATRIKPKSA-N
MW217.49 g/mol
LogP3.71
Rot. Bonds1

About 1-[(E)-2-bromoethenyl]-4-chlorobenzene

1-[(E)-2-bromoethenyl]-4-chlorobenzene (PubChem CID 5372382) has the molecular formula C8H6BrCl and a molecular weight of 217.49 g/mol. Its IUPAC name is 1-[(E)-2-bromoethenyl]-4-chlorobenzene.

Molecular Properties

Compound Name1-[(E)-2-bromoethenyl]-4-chlorobenzene
PubChem CID5372382
Molecular FormulaC8H6BrCl
Molecular Weight217.49 g/mol
Exact Mass215.93
IUPAC Name1-[(E)-2-bromoethenyl]-4-chlorobenzene
SMILESClc1ccc(/C=C/Br)cc1
InChIInChI=1S/C8H6BrCl/c9-6-5-7-1-3-8(10)4-2-7/h1-6H/b6-5+
InChIKeyZTBMGKTZOOAZBH-AATRIKPKSA-N
XLogP3.71
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 ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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1-[(Z)-2-bromoethenyl]-4-methoxybenzene
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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-bromoethenyl]-4-chlorobenzene?
The IUPAC name of 1-[(E)-2-bromoethenyl]-4-chlorobenzene (CID 5372382) is 1-[(E)-2-bromoethenyl]-4-chlorobenzene.
What is the SMILES notation for 1-[(E)-2-bromoethenyl]-4-chlorobenzene?
The canonical SMILES for 1-[(E)-2-bromoethenyl]-4-chlorobenzene is Clc1ccc(/C=C/Br)cc1.
What is the InChIKey of 1-[(E)-2-bromoethenyl]-4-chlorobenzene?
The InChIKey is ZTBMGKTZOOAZBH-AATRIKPKSA-N. The full InChI is InChI=1S/C8H6BrCl/c9-6-5-7-1-3-8(10)4-2-7/h1-6H/b6-5+.
What are the key properties of 1-[(E)-2-bromoethenyl]-4-chlorobenzene?
1-[(E)-2-bromoethenyl]-4-chlorobenzene has a molecular weight of 217.49 g/mol, XLogP of 3.71, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-bromoethenyl]-4-chlorobenzene is sourced from PubChem (CID 5372382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).