2-(2-diazoniophenyl)acetate

C8H6N2O2 — CID 172717003

IUPAC2-(2-diazoniophenyl)acetate
SMILESN#[N+]c1ccccc1CC(=O)[O-]
InChIInChI=1S/C8H6N2O2/c9-10-7-4-2-1-3-6(7)5-8(11)12/h1-4H,5H2
InChIKeyFZNPEFOJLMGAHE-UHFFFAOYSA-N
MW162.15 g/mol
LogP0.46
Rot. Bonds2

About 2-(2-diazoniophenyl)acetate

2-(2-diazoniophenyl)acetate (PubChem CID 172717003) has the molecular formula C8H6N2O2 and a molecular weight of 162.15 g/mol. Its IUPAC name is 2-(2-diazoniophenyl)acetate.

Molecular Properties

Compound Name2-(2-diazoniophenyl)acetate
PubChem CID172717003
Molecular FormulaC8H6N2O2
Molecular Weight162.15 g/mol
Exact Mass162.04
IUPAC Name2-(2-diazoniophenyl)acetate
SMILESN#[N+]c1ccccc1CC(=O)[O-]
InChIInChI=1S/C8H6N2O2/c9-10-7-4-2-1-3-6(7)5-8(11)12/h1-4H,5H2
InChIKeyFZNPEFOJLMGAHE-UHFFFAOYSA-N
XLogP0.46
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.15
LogP ≤ 50.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Azo_group', 'substructure': 'N/A'}

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Related Compounds

2-[(2-diazoniophenyl)methyl]benzenediazonium
CID 57324568
2-[2-(oxidomethyl)phenyl]acetate
CID 59875197
disodium;2-(2-oxidophenyl)acetate
CID 14326222
benzene-1,2-didiazonium
CID 22568635
lithium 2-phenylacetate
CID 19205773
tetrakis(benzenediazonium);ethane-1,2-diamine;tetraacetate
CID 173289960
disodium bis(2-(2-sulfophenyl)acetate)
CID 141231735
2-(2-isocyanophenyl)acetic acid
CID 53443625
2-dodecylbenzenediazonium
CID 22595305
cyclohexa-1,3-dien-5-yne;2-diazoniobenzoate;methane;molecular nitrogen
CID 160912340
sodium 2-[2-amino-3-(2-chlorophenyl)sulfanylphenyl]acetate
CID 23706985
phenylmethanediazonium acetate
CID 162310066

Frequently Asked Questions

What is the IUPAC name of 2-(2-diazoniophenyl)acetate?
The IUPAC name of 2-(2-diazoniophenyl)acetate (CID 172717003) is 2-(2-diazoniophenyl)acetate.
What is the SMILES notation for 2-(2-diazoniophenyl)acetate?
The canonical SMILES for 2-(2-diazoniophenyl)acetate is N#[N+]c1ccccc1CC(=O)[O-].
What is the InChIKey of 2-(2-diazoniophenyl)acetate?
The InChIKey is FZNPEFOJLMGAHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O2/c9-10-7-4-2-1-3-6(7)5-8(11)12/h1-4H,5H2.
What are the key properties of 2-(2-diazoniophenyl)acetate?
2-(2-diazoniophenyl)acetate has a molecular weight of 162.15 g/mol, XLogP of 0.46, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-diazoniophenyl)acetate is sourced from PubChem (CID 172717003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).