1,1-dibromo-2-phenyl-1lambda4,3-benzotellurazole

C13H9Br2NTe — CID 3088544

IUPAC1,1-dibromo-2-phenyl-1lambda4,3-benzotellurazole
SMILESBr[Te]1(Br)C(c2ccccc2)=Nc2ccccc21
InChIInChI=1S/C13H9Br2NTe/c14-17(15)12-9-5-4-8-11(12)16-13(17)10-6-2-1-3-7-10/h1-9H
InChIKeyZUWBETZAUBBRPY-UHFFFAOYSA-N
MW466.63 g/mol
LogP3.80
Rot. Bonds1

About 1,1-dibromo-2-phenyl-1lambda4,3-benzotellurazole

1,1-dibromo-2-phenyl-1lambda4,3-benzotellurazole (PubChem CID 3088544) has the molecular formula C13H9Br2NTe and a molecular weight of 466.63 g/mol. Its IUPAC name is 1,1-dibromo-2-phenyl-1lambda4,3-benzotellurazole.

Molecular Properties

Compound Name1,1-dibromo-2-phenyl-1lambda4,3-benzotellurazole
PubChem CID3088544
Molecular FormulaC13H9Br2NTe
Molecular Weight466.63 g/mol
Exact Mass466.82
IUPAC Name1,1-dibromo-2-phenyl-1lambda4,3-benzotellurazole
SMILESBr[Te]1(Br)C(c2ccccc2)=Nc2ccccc21
InChIInChI=1S/C13H9Br2NTe/c14-17(15)12-9-5-4-8-11(12)16-13(17)10-6-2-1-3-7-10/h1-9H
InChIKeyZUWBETZAUBBRPY-UHFFFAOYSA-N
XLogP3.80
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.63
LogP ≤ 53.80
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 1,1-dibromo-2-phenyl-1lambda4,3-benzotellurazole?
The IUPAC name of 1,1-dibromo-2-phenyl-1lambda4,3-benzotellurazole (CID 3088544) is 1,1-dibromo-2-phenyl-1lambda4,3-benzotellurazole.
What is the SMILES notation for 1,1-dibromo-2-phenyl-1lambda4,3-benzotellurazole?
The canonical SMILES for 1,1-dibromo-2-phenyl-1lambda4,3-benzotellurazole is Br[Te]1(Br)C(c2ccccc2)=Nc2ccccc21.
What is the InChIKey of 1,1-dibromo-2-phenyl-1lambda4,3-benzotellurazole?
The InChIKey is ZUWBETZAUBBRPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Br2NTe/c14-17(15)12-9-5-4-8-11(12)16-13(17)10-6-2-1-3-7-10/h1-9H.
What are the key properties of 1,1-dibromo-2-phenyl-1lambda4,3-benzotellurazole?
1,1-dibromo-2-phenyl-1lambda4,3-benzotellurazole has a molecular weight of 466.63 g/mol, XLogP of 3.80, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dibromo-2-phenyl-1lambda4,3-benzotellurazole is sourced from PubChem (CID 3088544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).