1-nitro-2-(2-nitrophenyl)peroxybenzene

C12H8N2O6 — CID 151853711

IUPAC1-nitro-2-(2-nitrophenyl)peroxybenzene
SMILESO=[N+]([O-])c1ccccc1OOc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C12H8N2O6/c15-13(16)9-5-1-3-7-11(9)19-20-12-8-4-2-6-10(12)14(17)18/h1-8H
InChIKeySJFWPPNGSCKWSO-UHFFFAOYSA-N
MW276.20 g/mol
LogP2.88
Rot. Bonds5

About 1-nitro-2-(2-nitrophenyl)peroxybenzene

1-nitro-2-(2-nitrophenyl)peroxybenzene (PubChem CID 151853711) has the molecular formula C12H8N2O6 and a molecular weight of 276.20 g/mol. Its IUPAC name is 1-nitro-2-(2-nitrophenyl)peroxybenzene.

Molecular Properties

Compound Name1-nitro-2-(2-nitrophenyl)peroxybenzene
PubChem CID151853711
Molecular FormulaC12H8N2O6
Molecular Weight276.20 g/mol
Exact Mass276.04
IUPAC Name1-nitro-2-(2-nitrophenyl)peroxybenzene
SMILESO=[N+]([O-])c1ccccc1OOc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C12H8N2O6/c15-13(16)9-5-1-3-7-11(9)19-20-12-8-4-2-6-10(12)14(17)18/h1-8H
InChIKeySJFWPPNGSCKWSO-UHFFFAOYSA-N
XLogP2.88
TPSA104.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.20
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

CID 174580034
CID 174580034
1-nitro-2-[2-[2-(2-nitrophenoxy)ethoxy]ethoxy]benzene
CID 2748735
1-iodo-2-(2-nitrophenoxy)naphthalene
CID 71623706
11-(2-nitrophenoxy)undecan-1-amine
CID 25180908
1-(difluoromethoxy)-2-nitrobenzene;2-nitrophenol
CID 141028739
difluoro-(2-nitrophenoxy)-sulfanylidene-λ5-phosphane
CID 165355149
ethane;1-methyl-2-(2-nitrophenoxy)benzene
CID 90780994
azanide;1,2-dinitrobenzene;platinum
CID 158959684
1-(4-methylphenoxy)-2-nitrobenzene
CID 3377310
1-azidooxy-2-nitrobenzene
CID 134977485
bicyclo[2.2.0]hexa-1,3,5-triene;1-ethoxy-2-nitrobenzene
CID 175518367
3-(2-nitrophenoxy)propan-1-ol
CID 18791292

Frequently Asked Questions

What is the IUPAC name of 1-nitro-2-(2-nitrophenyl)peroxybenzene?
The IUPAC name of 1-nitro-2-(2-nitrophenyl)peroxybenzene (CID 151853711) is 1-nitro-2-(2-nitrophenyl)peroxybenzene.
What is the SMILES notation for 1-nitro-2-(2-nitrophenyl)peroxybenzene?
The canonical SMILES for 1-nitro-2-(2-nitrophenyl)peroxybenzene is O=[N+]([O-])c1ccccc1OOc1ccccc1[N+](=O)[O-].
What is the InChIKey of 1-nitro-2-(2-nitrophenyl)peroxybenzene?
The InChIKey is SJFWPPNGSCKWSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2O6/c15-13(16)9-5-1-3-7-11(9)19-20-12-8-4-2-6-10(12)14(17)18/h1-8H.
What are the key properties of 1-nitro-2-(2-nitrophenyl)peroxybenzene?
1-nitro-2-(2-nitrophenyl)peroxybenzene has a molecular weight of 276.20 g/mol, XLogP of 2.88, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-nitro-2-(2-nitrophenyl)peroxybenzene is sourced from PubChem (CID 151853711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).