4-ethoxybenzenediazonium nitrate

C8H9N3O4 — CID 19702448

IUPAC4-ethoxybenzenediazonium nitrate
SMILESCCOc1ccc([N+]#N)cc1.O=[N+]([O-])[O-]
InChIInChI=1S/C8H9N2O.NO3/c1-2-11-8-5-3-7(10-9)4-6-8;2-1(3)4/h3-6H,2H2,1H3;/q+1;-1
InChIKeyYVIYVOQUNFDSPE-UHFFFAOYSA-N
MW211.18 g/mol
LogP2.33
Rot. Bonds2

About 4-ethoxybenzenediazonium nitrate

4-ethoxybenzenediazonium nitrate (PubChem CID 19702448) has the molecular formula C8H9N3O4 and a molecular weight of 211.18 g/mol. Its IUPAC name is 4-ethoxybenzenediazonium nitrate.

Molecular Properties

Compound Name4-ethoxybenzenediazonium nitrate
PubChem CID19702448
Molecular FormulaC8H9N3O4
Molecular Weight211.18 g/mol
Exact Mass211.06
IUPAC Name4-ethoxybenzenediazonium nitrate
SMILESCCOc1ccc([N+]#N)cc1.O=[N+]([O-])[O-]
InChIInChI=1S/C8H9N2O.NO3/c1-2-11-8-5-3-7(10-9)4-6-8;2-1(3)4/h3-6H,2H2,1H3;/q+1;-1
InChIKeyYVIYVOQUNFDSPE-UHFFFAOYSA-N
XLogP2.33
TPSA103.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.18
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Azo_group', '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

1-ethoxy-4-ethylsulfonylbenzene
CID 12846221
2-(4-ethoxyphenoxy)-5-nitroaniline
CID 62506652
2-cyanoethyl-(diaminomethylidene)-[(4-ethoxyphenyl)methylideneamino]azanium nitrate
CID 71966117
1-(2,2-dimethylpropoxy)-4-ethoxybenzene
CID 170603637
(4-ethoxyphenyl)-oxosulfanium
CID 174263309
4-ethoxybenzenesulfonic acid
CID 7013020
tridecakis(4-methoxybenzenediazonium);tetraborate;fluoride
CID 139783849
1-[4-(4-ethoxyphenoxy)butoxy]-2-nitrobenzene
CID 2899468
4-ethoxy-N-(2-nitrophenyl)sulfanylaniline
CID 728485
bis(2,5-diethoxy-4-(4-ethoxyphenyl)benzenediazonium);sulfate
CID 87876029
(4-ethoxyphenyl)-(3-nitrophenyl)methanamine
CID 70193824
(4-ethoxyphenyl)sulfonylformamide
CID 117038031

Frequently Asked Questions

What is the IUPAC name of 4-ethoxybenzenediazonium nitrate?
The IUPAC name of 4-ethoxybenzenediazonium nitrate (CID 19702448) is 4-ethoxybenzenediazonium nitrate.
What is the SMILES notation for 4-ethoxybenzenediazonium nitrate?
The canonical SMILES for 4-ethoxybenzenediazonium nitrate is CCOc1ccc([N+]#N)cc1.O=[N+]([O-])[O-].
What is the InChIKey of 4-ethoxybenzenediazonium nitrate?
The InChIKey is YVIYVOQUNFDSPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N2O.NO3/c1-2-11-8-5-3-7(10-9)4-6-8;2-1(3)4/h3-6H,2H2,1H3;/q+1;-1.
What are the key properties of 4-ethoxybenzenediazonium nitrate?
4-ethoxybenzenediazonium nitrate has a molecular weight of 211.18 g/mol, XLogP of 2.33, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxybenzenediazonium nitrate is sourced from PubChem (CID 19702448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).