[(E)-2-bromo-2-methylselanylethenyl]benzene

C9H9BrSe — CID 10989488

IUPAC[(E)-2-bromo-2-methylselanylethenyl]benzene
SMILESC[Se]/C(Br)=C\c1ccccc1
InChIInChI=1S/C9H9BrSe/c1-11-9(10)7-8-5-3-2-4-6-8/h2-7H,1H3/b9-7-
InChIKeyZZVVFJUXNHISQX-CLFYSBASSA-N
MW276.04 g/mol
LogP3.13
Rot. Bonds2

About [(E)-2-bromo-2-methylselanylethenyl]benzene

[(E)-2-bromo-2-methylselanylethenyl]benzene (PubChem CID 10989488) has the molecular formula C9H9BrSe and a molecular weight of 276.04 g/mol. Its IUPAC name is [(E)-2-bromo-2-methylselanylethenyl]benzene.

Molecular Properties

Compound Name[(E)-2-bromo-2-methylselanylethenyl]benzene
PubChem CID10989488
Molecular FormulaC9H9BrSe
Molecular Weight276.04 g/mol
Exact Mass275.91
IUPAC Name[(E)-2-bromo-2-methylselanylethenyl]benzene
SMILESC[Se]/C(Br)=C\c1ccccc1
InChIInChI=1S/C9H9BrSe/c1-11-9(10)7-8-5-3-2-4-6-8/h2-7H,1H3/b9-7-
InChIKeyZZVVFJUXNHISQX-CLFYSBASSA-N
XLogP3.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.04
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

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[(E)-2-bromo-2-methylsulfanylethenyl]benzene
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1-[(Z)-1-bromo-2-phenylethenyl]-4-methylbenzene
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[(E)-3-bromo-2-methylprop-1-enyl]benzene
CID 10910824
1-phenylbuta-1,3-dien-2-ol
CID 87904786
[(E)-2-benzylsulfanyl-2-methylselanylethenyl]benzene
CID 11438560
[(E)-2-(2-methylpropylsulfanyl)-2-methylselanylethenyl]benzene
CID 134923204
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Frequently Asked Questions

What is the IUPAC name of [(E)-2-bromo-2-methylselanylethenyl]benzene?
The IUPAC name of [(E)-2-bromo-2-methylselanylethenyl]benzene (CID 10989488) is [(E)-2-bromo-2-methylselanylethenyl]benzene.
What is the SMILES notation for [(E)-2-bromo-2-methylselanylethenyl]benzene?
The canonical SMILES for [(E)-2-bromo-2-methylselanylethenyl]benzene is C[Se]/C(Br)=C\c1ccccc1.
What is the InChIKey of [(E)-2-bromo-2-methylselanylethenyl]benzene?
The InChIKey is ZZVVFJUXNHISQX-CLFYSBASSA-N. The full InChI is InChI=1S/C9H9BrSe/c1-11-9(10)7-8-5-3-2-4-6-8/h2-7H,1H3/b9-7-.
What are the key properties of [(E)-2-bromo-2-methylselanylethenyl]benzene?
[(E)-2-bromo-2-methylselanylethenyl]benzene has a molecular weight of 276.04 g/mol, XLogP of 3.13, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-2-bromo-2-methylselanylethenyl]benzene is sourced from PubChem (CID 10989488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).