1-nitro-4-nitrosobenzene

C6H4N2O3 — CID 643547

IUPAC1-nitro-4-nitrosobenzene
SMILESO=Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C6H4N2O3/c9-7-5-1-3-6(4-2-5)8(10)11/h1-4H
InChIKeyIDZTUECABAHWLE-UHFFFAOYSA-N
MW152.11 g/mol
LogP1.99
Rot. Bonds2

About 1-nitro-4-nitrosobenzene

1-nitro-4-nitrosobenzene (PubChem CID 643547) has the molecular formula C6H4N2O3 and a molecular weight of 152.11 g/mol. Its IUPAC name is 1-nitro-4-nitrosobenzene.

Molecular Properties

Compound Name1-nitro-4-nitrosobenzene
PubChem CID643547
Molecular FormulaC6H4N2O3
Molecular Weight152.11 g/mol
Exact Mass152.02
IUPAC Name1-nitro-4-nitrosobenzene
SMILESO=Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C6H4N2O3/c9-7-5-1-3-6(4-2-5)8(10)11/h1-4H
InChIKeyIDZTUECABAHWLE-UHFFFAOYSA-N
XLogP1.99
TPSA72.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.11
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1,4-dinitrobenzene;nitrous acid
CID 174371180
3-O-(4-nitrophenyl) 1-O-(4-nitrosophenyl) propanedioate
CID 88551647
methyl-(4-nitrophenyl)diazene
CID 20760343
(4-nitrophenyl)-phenyldiazene
CID 17222
CID 59711141
CID 59711141
(4-methylphenyl)-(4-nitrophenyl)imino-oxidoazanium
CID 14528183
2-(4-nitrophenyl)imino-1,3-diazinane-4,6-dione
CID 135510190
N-(4-nitrophenyl)-1-(2,4,6-trinitrophenyl)methanimine
CID 15466499
1-(4-fluorophenyl)-N-(4-nitrophenyl)methanimine
CID 4290678
N-(4-iodophenyl)-1-(4-nitrophenyl)methanimine
CID 554970
4-[(4-nitrophenyl)iminomethyl]aniline
CID 15515058
N-iodo-4-[(4-nitrophenyl)diazenyl]aniline
CID 145350386

Frequently Asked Questions

What is the IUPAC name of 1-nitro-4-nitrosobenzene?
The IUPAC name of 1-nitro-4-nitrosobenzene (CID 643547) is 1-nitro-4-nitrosobenzene.
What is the SMILES notation for 1-nitro-4-nitrosobenzene?
The canonical SMILES for 1-nitro-4-nitrosobenzene is O=Nc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 1-nitro-4-nitrosobenzene?
The InChIKey is IDZTUECABAHWLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4N2O3/c9-7-5-1-3-6(4-2-5)8(10)11/h1-4H.
What are the key properties of 1-nitro-4-nitrosobenzene?
1-nitro-4-nitrosobenzene has a molecular weight of 152.11 g/mol, XLogP of 1.99, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-nitro-4-nitrosobenzene is sourced from PubChem (CID 643547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).