phenylmethanediazonium acetate

C9H10N2O2 — CID 162310066

IUPACphenylmethanediazonium acetate
SMILESCC(=O)[O-].N#[N+]Cc1ccccc1
InChIInChI=1S/C7H7N2.C2H4O2/c8-9-6-7-4-2-1-3-5-7;1-2(3)4/h1-5H,6H2;1H3,(H,3,4)/q+1;/p-1
InChIKeyYTDYIVDHQYDSDN-UHFFFAOYSA-M
MW178.19 g/mol
LogP0.80
Rot. Bonds1

About phenylmethanediazonium acetate

phenylmethanediazonium acetate (PubChem CID 162310066) has the molecular formula C9H10N2O2 and a molecular weight of 178.19 g/mol. Its IUPAC name is phenylmethanediazonium acetate.

Molecular Properties

Compound Namephenylmethanediazonium acetate
PubChem CID162310066
Molecular FormulaC9H10N2O2
Molecular Weight178.19 g/mol
Exact Mass178.07
IUPAC Namephenylmethanediazonium acetate
SMILESCC(=O)[O-].N#[N+]Cc1ccccc1
InChIInChI=1S/C7H7N2.C2H4O2/c8-9-6-7-4-2-1-3-5-7;1-2(3)4/h1-5H,6H2;1H3,(H,3,4)/q+1;/p-1
InChIKeyYTDYIVDHQYDSDN-UHFFFAOYSA-M
XLogP0.80
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 50.80
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

benzyltin(3+) triacetate
CID 161126164
3-phenylpropylazanium acetate
CID 67633985
tetrakis(benzenediazonium);ethane-1,2-diamine;tetraacetate
CID 173289960
lithium 2-phenylacetate
CID 19205773
amino(benzyl)azanium acetate
CID 157138793
bis(2-[benzyl(methyl)amino]ethyl-triphenylphosphanium) diacetate
CID 173362409
1,1'-biphenyl;palladium(2+);diacetate
CID 173036521
benzene;1-phenylpropan-2-one
CID 21430852
azane;phenylmercury(1+);acetate
CID 90478884
benzyl(trimethyl)azanium;propanoate
CID 87903949
acetyl(2-phenylethylidene)oxidanium
CID 102533685
ethane;3-phenylpropanoate;yttrium
CID 160889858

Frequently Asked Questions

What is the IUPAC name of phenylmethanediazonium acetate?
The IUPAC name of phenylmethanediazonium acetate (CID 162310066) is phenylmethanediazonium acetate.
What is the SMILES notation for phenylmethanediazonium acetate?
The canonical SMILES for phenylmethanediazonium acetate is CC(=O)[O-].N#[N+]Cc1ccccc1.
What is the InChIKey of phenylmethanediazonium acetate?
The InChIKey is YTDYIVDHQYDSDN-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H7N2.C2H4O2/c8-9-6-7-4-2-1-3-5-7;1-2(3)4/h1-5H,6H2;1H3,(H,3,4)/q+1;/p-1.
What are the key properties of phenylmethanediazonium acetate?
phenylmethanediazonium acetate has a molecular weight of 178.19 g/mol, XLogP of 0.80, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenylmethanediazonium acetate is sourced from PubChem (CID 162310066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).