1,2-dinitrosobenzene

C6H4N2O2 — CID 24259

IUPAC1,2-dinitrosobenzene
SMILESO=Nc1ccccc1N=O
InChIInChI=1S/C6H4N2O2/c9-7-5-3-1-2-4-6(5)8-10/h1-4H
InChIKeyXYLFFOSVQCBSDT-UHFFFAOYSA-N
MW136.11 g/mol
LogP2.48
Rot. Bonds2

About 1,2-dinitrosobenzene

1,2-dinitrosobenzene (PubChem CID 24259) has the molecular formula C6H4N2O2 and a molecular weight of 136.11 g/mol. Its IUPAC name is 1,2-dinitrosobenzene.

Molecular Properties

Compound Name1,2-dinitrosobenzene
PubChem CID24259
Molecular FormulaC6H4N2O2
Molecular Weight136.11 g/mol
Exact Mass136.03
IUPAC Name1,2-dinitrosobenzene
SMILESO=Nc1ccccc1N=O
InChIInChI=1S/C6H4N2O2/c9-7-5-3-1-2-4-6(5)8-10/h1-4H
InChIKeyXYLFFOSVQCBSDT-UHFFFAOYSA-N
XLogP2.48
TPSA58.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.11
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Nitrobenzene
CID 7416
1,2-Dinitrobenzene
CID 10707
2-Nitro-4-phenylenediamine
CID 4338370
4-Nitro-1,2-phenylenediamine
CID 5111791
1,4-Dinitrobenzene
CID 7492
2,4-Dinitroaniline
CID 7321
2-Nitroaniline
CID 6946
Nitrosobenzene
CID 11473
1,4-Dinitrosobenzene
CID 66921
p-Fluoronitrobenzene
CID 9590
4-Nitro-1,3-benzenediamine
CID 21208
1,4-Benzoquinone dioxime
CID 7737

Frequently Asked Questions

What is the IUPAC name of 1,2-dinitrosobenzene?
The IUPAC name of 1,2-dinitrosobenzene (CID 24259) is 1,2-dinitrosobenzene.
What is the SMILES notation for 1,2-dinitrosobenzene?
The canonical SMILES for 1,2-dinitrosobenzene is O=Nc1ccccc1N=O.
What is the InChIKey of 1,2-dinitrosobenzene?
The InChIKey is XYLFFOSVQCBSDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4N2O2/c9-7-5-3-1-2-4-6(5)8-10/h1-4H.
What are the key properties of 1,2-dinitrosobenzene?
1,2-dinitrosobenzene has a molecular weight of 136.11 g/mol, XLogP of 2.48, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dinitrosobenzene is sourced from PubChem (CID 24259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).