1-nitro-3-phenyltellanylbenzene

C12H9NO2Te — CID 12728669

IUPAC1-nitro-3-phenyltellanylbenzene
SMILESO=[N+]([O-])c1cccc([Te]c2ccccc2)c1
InChIInChI=1S/C12H9NO2Te/c14-13(15)10-5-4-8-12(9-10)16-11-6-2-1-3-7-11/h1-9H
InChIKeyUOELQMMUXUMKPT-UHFFFAOYSA-N
MW326.81 g/mol
LogP1.25
Rot. Bonds3

About 1-nitro-3-phenyltellanylbenzene

1-nitro-3-phenyltellanylbenzene (PubChem CID 12728669) has the molecular formula C12H9NO2Te and a molecular weight of 326.81 g/mol. Its IUPAC name is 1-nitro-3-phenyltellanylbenzene.

Molecular Properties

Compound Name1-nitro-3-phenyltellanylbenzene
PubChem CID12728669
Molecular FormulaC12H9NO2Te
Molecular Weight326.81 g/mol
Exact Mass328.97
IUPAC Name1-nitro-3-phenyltellanylbenzene
SMILESO=[N+]([O-])c1cccc([Te]c2ccccc2)c1
InChIInChI=1S/C12H9NO2Te/c14-13(15)10-5-4-8-12(9-10)16-11-6-2-1-3-7-11/h1-9H
InChIKeyUOELQMMUXUMKPT-UHFFFAOYSA-N
XLogP1.25
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.81
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1,3-dimethyl-5-(3-nitrophenyl)tellanylbenzene
CID 11360219
1,1'-biphenyl;1,3-dinitrobenzene
CID 174540087
1-(3-nitrophenyl)-3-phenylbenzene
CID 12623202
azane;nitrobenzene
CID 23197461
arsane;nitrobenzene
CID 174282180
benzene;iron;nitrobenzene
CID 174446919
calcium nitrobenzene
CID 67916702
azanium nitrobenzene
CID 22989049
1,3-dinitrobenzene;2-phenylethylbenzene
CID 174564688
iron(3+);nitrobenzene;trichloride
CID 70503336
magnesium;hydride;nitrobenzene
CID 173371093
iron;methane;nitrobenzene
CID 175081715

Frequently Asked Questions

What is the IUPAC name of 1-nitro-3-phenyltellanylbenzene?
The IUPAC name of 1-nitro-3-phenyltellanylbenzene (CID 12728669) is 1-nitro-3-phenyltellanylbenzene.
What is the SMILES notation for 1-nitro-3-phenyltellanylbenzene?
The canonical SMILES for 1-nitro-3-phenyltellanylbenzene is O=[N+]([O-])c1cccc([Te]c2ccccc2)c1.
What is the InChIKey of 1-nitro-3-phenyltellanylbenzene?
The InChIKey is UOELQMMUXUMKPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NO2Te/c14-13(15)10-5-4-8-12(9-10)16-11-6-2-1-3-7-11/h1-9H.
What are the key properties of 1-nitro-3-phenyltellanylbenzene?
1-nitro-3-phenyltellanylbenzene has a molecular weight of 326.81 g/mol, XLogP of 1.25, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-nitro-3-phenyltellanylbenzene is sourced from PubChem (CID 12728669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).