1-nitro-2-(selanylidene-λ4-selanyl)benzene

C6H5NO2Se2 — CID 150274158

IUPAC1-nitro-2-(selanylidene-λ4-selanyl)benzene
SMILESO=[N+]([O-])c1ccccc1[SeH]=[Se]
InChIInChI=1S/C6H5NO2Se2/c8-7(9)5-3-1-2-4-6(5)11-10/h1-4,11H
InChIKeyGEESNIAVJDJHJC-UHFFFAOYSA-N
MW281.03 g/mol
LogP-0.26
Rot. Bonds2

About 1-nitro-2-(selanylidene-λ4-selanyl)benzene

1-nitro-2-(selanylidene-λ4-selanyl)benzene (PubChem CID 150274158) has the molecular formula C6H5NO2Se2 and a molecular weight of 281.03 g/mol. Its IUPAC name is 1-nitro-2-(selanylidene-λ4-selanyl)benzene.

Molecular Properties

Compound Name1-nitro-2-(selanylidene-λ4-selanyl)benzene
PubChem CID150274158
Molecular FormulaC6H5NO2Se2
Molecular Weight281.03 g/mol
Exact Mass282.87
IUPAC Name1-nitro-2-(selanylidene-λ4-selanyl)benzene
SMILESO=[N+]([O-])c1ccccc1[SeH]=[Se]
InChIInChI=1S/C6H5NO2Se2/c8-7(9)5-3-1-2-4-6(5)11-10/h1-4,11H
InChIKeyGEESNIAVJDJHJC-UHFFFAOYSA-N
XLogP-0.26
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.03
LogP ≤ 5-0.26
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

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CID 151853711
disodium;hydride;2-nitrophenol
CID 174745512
methanol;2-nitrophenol
CID 157303764
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CID 174468566

Frequently Asked Questions

What is the IUPAC name of 1-nitro-2-(selanylidene-λ4-selanyl)benzene?
The IUPAC name of 1-nitro-2-(selanylidene-λ4-selanyl)benzene (CID 150274158) is 1-nitro-2-(selanylidene-λ4-selanyl)benzene.
What is the SMILES notation for 1-nitro-2-(selanylidene-λ4-selanyl)benzene?
The canonical SMILES for 1-nitro-2-(selanylidene-λ4-selanyl)benzene is O=[N+]([O-])c1ccccc1[SeH]=[Se].
What is the InChIKey of 1-nitro-2-(selanylidene-λ4-selanyl)benzene?
The InChIKey is GEESNIAVJDJHJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5NO2Se2/c8-7(9)5-3-1-2-4-6(5)11-10/h1-4,11H.
What are the key properties of 1-nitro-2-(selanylidene-λ4-selanyl)benzene?
1-nitro-2-(selanylidene-λ4-selanyl)benzene has a molecular weight of 281.03 g/mol, XLogP of -0.26, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-nitro-2-(selanylidene-λ4-selanyl)benzene is sourced from PubChem (CID 150274158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).