1-bromo-2-(1-bromoethenyl)benzene

C8H6Br2 — CID 87294952

IUPAC1-bromo-2-(1-bromoethenyl)benzene
SMILESC=C(Br)c1ccccc1Br
InChIInChI=1S/C8H6Br2/c1-6(9)7-4-2-3-5-8(7)10/h2-5H,1H2
InChIKeyFOCCJNHVZIGNFM-UHFFFAOYSA-N
MW261.94 g/mol
LogP3.81
Rot. Bonds1

About 1-bromo-2-(1-bromoethenyl)benzene

1-bromo-2-(1-bromoethenyl)benzene (PubChem CID 87294952) has the molecular formula C8H6Br2 and a molecular weight of 261.94 g/mol. Its IUPAC name is 1-bromo-2-(1-bromoethenyl)benzene.

Molecular Properties

Compound Name1-bromo-2-(1-bromoethenyl)benzene
PubChem CID87294952
Molecular FormulaC8H6Br2
Molecular Weight261.94 g/mol
Exact Mass259.88
IUPAC Name1-bromo-2-(1-bromoethenyl)benzene
SMILESC=C(Br)c1ccccc1Br
InChIInChI=1S/C8H6Br2/c1-6(9)7-4-2-3-5-8(7)10/h2-5H,1H2
InChIKeyFOCCJNHVZIGNFM-UHFFFAOYSA-N
XLogP3.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.94
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-(1-bromoethenyl)benzene?
The IUPAC name of 1-bromo-2-(1-bromoethenyl)benzene (CID 87294952) is 1-bromo-2-(1-bromoethenyl)benzene.
What is the SMILES notation for 1-bromo-2-(1-bromoethenyl)benzene?
The canonical SMILES for 1-bromo-2-(1-bromoethenyl)benzene is C=C(Br)c1ccccc1Br.
What is the InChIKey of 1-bromo-2-(1-bromoethenyl)benzene?
The InChIKey is FOCCJNHVZIGNFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6Br2/c1-6(9)7-4-2-3-5-8(7)10/h2-5H,1H2.
What are the key properties of 1-bromo-2-(1-bromoethenyl)benzene?
1-bromo-2-(1-bromoethenyl)benzene has a molecular weight of 261.94 g/mol, XLogP of 3.81, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-(1-bromoethenyl)benzene is sourced from PubChem (CID 87294952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).