2,2-dibromo(113C)ethenylbenzene

C8H6Br2 — CID 131856077

IUPAC2,2-dibromo(113C)ethenylbenzene
SMILESBrC(Br)=[13CH]c1ccccc1
InChIInChI=1S/C8H6Br2/c9-8(10)6-7-4-2-1-3-5-7/h1-6H/i6+1
InChIKeyCYLVUSZHVURAOY-PTQBSOBMSA-N
MW262.94 g/mol
LogP3.77
Rot. Bonds1

About 2,2-dibromo(113C)ethenylbenzene

2,2-dibromo(113C)ethenylbenzene (PubChem CID 131856077) has the molecular formula C8H6Br2 and a molecular weight of 262.94 g/mol. Its IUPAC name is 2,2-dibromo(113C)ethenylbenzene.

Molecular Properties

Compound Name2,2-dibromo(113C)ethenylbenzene
PubChem CID131856077
Molecular FormulaC8H6Br2
Molecular Weight262.94 g/mol
Exact Mass260.89
IUPAC Name2,2-dibromo(113C)ethenylbenzene
SMILESBrC(Br)=[13CH]c1ccccc1
InChIInChI=1S/C8H6Br2/c9-8(10)6-7-4-2-1-3-5-7/h1-6H/i6+1
InChIKeyCYLVUSZHVURAOY-PTQBSOBMSA-N
XLogP3.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.94
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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1-tert-butyl-4-(2,2-dibromoethenyl)benzene
CID 95993486
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CID 11492511
1-[(Z)-1-bromo-2-phenylethenyl]-4-methylbenzene
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Frequently Asked Questions

What is the IUPAC name of 2,2-dibromo(113C)ethenylbenzene?
The IUPAC name of 2,2-dibromo(113C)ethenylbenzene (CID 131856077) is 2,2-dibromo(113C)ethenylbenzene.
What is the SMILES notation for 2,2-dibromo(113C)ethenylbenzene?
The canonical SMILES for 2,2-dibromo(113C)ethenylbenzene is BrC(Br)=[13CH]c1ccccc1.
What is the InChIKey of 2,2-dibromo(113C)ethenylbenzene?
The InChIKey is CYLVUSZHVURAOY-PTQBSOBMSA-N. The full InChI is InChI=1S/C8H6Br2/c9-8(10)6-7-4-2-1-3-5-7/h1-6H/i6+1.
What are the key properties of 2,2-dibromo(113C)ethenylbenzene?
2,2-dibromo(113C)ethenylbenzene has a molecular weight of 262.94 g/mol, XLogP of 3.77, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dibromo(113C)ethenylbenzene is sourced from PubChem (CID 131856077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).