10,10-dibromophenoxaselenine

C12H8Br2OSe — CID 165349920

IUPAC10,10-dibromophenoxaselenine
SMILESBr[Se]1(Br)c2ccccc2Oc2ccccc21
InChIInChI=1S/C12H8Br2OSe/c13-16(14)11-7-3-1-5-9(11)15-10-6-2-4-8-12(10)16/h1-8H
InChIKeyXYBKSJNVFOEHLD-UHFFFAOYSA-N
MW406.96 g/mol
LogP3.14
Rot. Bonds

About 10,10-dibromophenoxaselenine

10,10-dibromophenoxaselenine (PubChem CID 165349920) has the molecular formula C12H8Br2OSe and a molecular weight of 406.96 g/mol. Its IUPAC name is 10,10-dibromophenoxaselenine.

Molecular Properties

Compound Name10,10-dibromophenoxaselenine
PubChem CID165349920
Molecular FormulaC12H8Br2OSe
Molecular Weight406.96 g/mol
Exact Mass405.81
IUPAC Name10,10-dibromophenoxaselenine
SMILESBr[Se]1(Br)c2ccccc2Oc2ccccc21
InChIInChI=1S/C12H8Br2OSe/c13-16(14)11-7-3-1-5-9(11)15-10-6-2-4-8-12(10)16/h1-8H
InChIKeyXYBKSJNVFOEHLD-UHFFFAOYSA-N
XLogP3.14
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.96
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 10,10-dibromophenoxaselenine?
The IUPAC name of 10,10-dibromophenoxaselenine (CID 165349920) is 10,10-dibromophenoxaselenine.
What is the SMILES notation for 10,10-dibromophenoxaselenine?
The canonical SMILES for 10,10-dibromophenoxaselenine is Br[Se]1(Br)c2ccccc2Oc2ccccc21.
What is the InChIKey of 10,10-dibromophenoxaselenine?
The InChIKey is XYBKSJNVFOEHLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Br2OSe/c13-16(14)11-7-3-1-5-9(11)15-10-6-2-4-8-12(10)16/h1-8H.
What are the key properties of 10,10-dibromophenoxaselenine?
10,10-dibromophenoxaselenine has a molecular weight of 406.96 g/mol, XLogP of 3.14, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10,10-dibromophenoxaselenine is sourced from PubChem (CID 165349920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).