azonic acid bromide

H3BrNO3- — CID 173050054

IUPACazonic acid bromide
SMILES[Br-].[O-][NH+](O)O
InChIInChI=1S/BrH.H3NO3/c;2-1(3)4/h1H;1-3H/p-1
InChIKeyMJHYLIBVIPWWTG-UHFFFAOYSA-M
MW144.93 g/mol
LogP-4.85
Rot. Bonds

About azonic acid bromide

azonic acid bromide (PubChem CID 173050054) has the molecular formula H3BrNO3- and a molecular weight of 144.93 g/mol. Its IUPAC name is azonic acid bromide.

Molecular Properties

Compound Nameazonic acid bromide
PubChem CID173050054
Molecular FormulaH3BrNO3-
Molecular Weight144.93 g/mol
Exact Mass143.93
IUPAC Nameazonic acid bromide
SMILES[Br-].[O-][NH+](O)O
InChIInChI=1S/BrH.H3NO3/c;2-1(3)4/h1H;1-3H/p-1
InChIKeyMJHYLIBVIPWWTG-UHFFFAOYSA-M
XLogP-4.85
TPSA67.96 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.93
LogP ≤ 5-4.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of azonic acid bromide?
The IUPAC name of azonic acid bromide (CID 173050054) is azonic acid bromide.
What is the SMILES notation for azonic acid bromide?
The canonical SMILES for azonic acid bromide is [Br-].[O-][NH+](O)O.
What is the InChIKey of azonic acid bromide?
The InChIKey is MJHYLIBVIPWWTG-UHFFFAOYSA-M. The full InChI is InChI=1S/BrH.H3NO3/c;2-1(3)4/h1H;1-3H/p-1.
What are the key properties of azonic acid bromide?
azonic acid bromide has a molecular weight of 144.93 g/mol, XLogP of -4.85, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azonic acid bromide is sourced from PubChem (CID 173050054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).