4-bromo-1-[(4-bromo-2-nitrophenyl)diselanyl]-2-nitrobenzene

C12H6Br2N2O4Se2 — CID 140870774

IUPAC4-bromo-1-[(4-bromo-2-nitrophenyl)diselanyl]-2-nitrobenzene
SMILESO=[N+]([O-])c1cc(Br)ccc1[Se][Se]c1ccc(Br)cc1[N+](=O)[O-]
InChIInChI=1S/C12H6Br2N2O4Se2/c13-7-1-3-11(9(5-7)15(17)18)21-22-12-4-2-8(14)6-10(12)16(19)20/h1-6H
InChIKeyXUWFOKKRTFUHCX-UHFFFAOYSA-N
MW559.92 g/mol
LogP2.30
Rot. Bonds5

About 4-bromo-1-[(4-bromo-2-nitrophenyl)diselanyl]-2-nitrobenzene

4-bromo-1-[(4-bromo-2-nitrophenyl)diselanyl]-2-nitrobenzene (PubChem CID 140870774) has the molecular formula C12H6Br2N2O4Se2 and a molecular weight of 559.92 g/mol. Its IUPAC name is 4-bromo-1-[(4-bromo-2-nitrophenyl)diselanyl]-2-nitrobenzene.

Molecular Properties

Compound Name4-bromo-1-[(4-bromo-2-nitrophenyl)diselanyl]-2-nitrobenzene
PubChem CID140870774
Molecular FormulaC12H6Br2N2O4Se2
Molecular Weight559.92 g/mol
Exact Mass559.70
IUPAC Name4-bromo-1-[(4-bromo-2-nitrophenyl)diselanyl]-2-nitrobenzene
SMILESO=[N+]([O-])c1cc(Br)ccc1[Se][Se]c1ccc(Br)cc1[N+](=O)[O-]
InChIInChI=1S/C12H6Br2N2O4Se2/c13-7-1-3-11(9(5-7)15(17)18)21-22-12-4-2-8(14)6-10(12)16(19)20/h1-6H
InChIKeyXUWFOKKRTFUHCX-UHFFFAOYSA-N
XLogP2.30
TPSA86.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500559.92
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 67504586
sodium;4-bromo-1-methyl-2-nitrobenzene;hydride
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CID 63464457
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CID 20741124
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4-bromo-N-(4-bromo-2-nitrophenyl)-N-ethenyl-2-nitroaniline
CID 175624339
(1S)-1-(4-bromo-2-nitrophenyl)ethane-1,2-diamine
CID 131190762
4-bromo-1-nitro-2-(4-phenylphenyl)benzene
CID 144601418

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-[(4-bromo-2-nitrophenyl)diselanyl]-2-nitrobenzene?
The IUPAC name of 4-bromo-1-[(4-bromo-2-nitrophenyl)diselanyl]-2-nitrobenzene (CID 140870774) is 4-bromo-1-[(4-bromo-2-nitrophenyl)diselanyl]-2-nitrobenzene.
What is the SMILES notation for 4-bromo-1-[(4-bromo-2-nitrophenyl)diselanyl]-2-nitrobenzene?
The canonical SMILES for 4-bromo-1-[(4-bromo-2-nitrophenyl)diselanyl]-2-nitrobenzene is O=[N+]([O-])c1cc(Br)ccc1[Se][Se]c1ccc(Br)cc1[N+](=O)[O-].
What is the InChIKey of 4-bromo-1-[(4-bromo-2-nitrophenyl)diselanyl]-2-nitrobenzene?
The InChIKey is XUWFOKKRTFUHCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Br2N2O4Se2/c13-7-1-3-11(9(5-7)15(17)18)21-22-12-4-2-8(14)6-10(12)16(19)20/h1-6H.
What are the key properties of 4-bromo-1-[(4-bromo-2-nitrophenyl)diselanyl]-2-nitrobenzene?
4-bromo-1-[(4-bromo-2-nitrophenyl)diselanyl]-2-nitrobenzene has a molecular weight of 559.92 g/mol, XLogP of 2.30, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-[(4-bromo-2-nitrophenyl)diselanyl]-2-nitrobenzene is sourced from PubChem (CID 140870774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).