dihydroxy(oxo)azanium chloride

H2ClNO3 — CID 147350309

IUPACdihydroxy(oxo)azanium chloride
SMILESO=[N+](O)O.[Cl-]
InChIInChI=1S/ClH.H2NO3/c;2-1(3)4/h1H;(H2,2,3,4)/q;+1/p-1
InChIKeyMNXHKCFEJVNFIV-UHFFFAOYSA-M
MW99.47 g/mol
LogP-3.45
Rot. Bonds

About dihydroxy(oxo)azanium chloride

dihydroxy(oxo)azanium chloride (PubChem CID 147350309) has the molecular formula H2ClNO3 and a molecular weight of 99.47 g/mol. Its IUPAC name is dihydroxy(oxo)azanium chloride.

Molecular Properties

Compound Namedihydroxy(oxo)azanium chloride
PubChem CID147350309
Molecular FormulaH2ClNO3
Molecular Weight99.47 g/mol
Exact Mass98.97
IUPAC Namedihydroxy(oxo)azanium chloride
SMILESO=[N+](O)O.[Cl-]
InChIInChI=1S/ClH.H2NO3/c;2-1(3)4/h1H;(H2,2,3,4)/q;+1/p-1
InChIKeyMNXHKCFEJVNFIV-UHFFFAOYSA-M
XLogP-3.45
TPSA60.54 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.47
LogP ≤ 5-3.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

tris(dihydroxy(oxo)azanium);europium
CID 50909722
tris(nitric acid);yttrium;tetrahydrate
CID 131873138
carbonic acid;cerium;decakis(dihydroxy(oxo)azanium)
CID 160531065
carbonic acid;cerium;pentakis(dihydroxy(oxo)azanium)
CID 155762563
azanide;azanylidyneoxidanium;cobalt;dihydroxy(oxo)azanium
CID 6333178
methanol;nitric acid;yttrium
CID 20642582
iron(3+);nitric acid;trichloride;hydrochloride
CID 174712730
CID 173119623
CID 173119623
nitric acid;tellane
CID 173450640
hafnium;tetrakis(nitric acid)
CID 5207132
alumane;tris(nitric acid)
CID 173196891
bis(nitric acid);platinum
CID 50910635

Frequently Asked Questions

What is the IUPAC name of dihydroxy(oxo)azanium chloride?
The IUPAC name of dihydroxy(oxo)azanium chloride (CID 147350309) is dihydroxy(oxo)azanium chloride.
What is the SMILES notation for dihydroxy(oxo)azanium chloride?
The canonical SMILES for dihydroxy(oxo)azanium chloride is O=[N+](O)O.[Cl-].
What is the InChIKey of dihydroxy(oxo)azanium chloride?
The InChIKey is MNXHKCFEJVNFIV-UHFFFAOYSA-M. The full InChI is InChI=1S/ClH.H2NO3/c;2-1(3)4/h1H;(H2,2,3,4)/q;+1/p-1.
What are the key properties of dihydroxy(oxo)azanium chloride?
dihydroxy(oxo)azanium chloride has a molecular weight of 99.47 g/mol, XLogP of -3.45, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dihydroxy(oxo)azanium chloride is sourced from PubChem (CID 147350309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).