aluminum;hydrogen carbonate;bromide;nitrate

CHAlBrNO6 — CID 174144944

IUPACaluminum;hydrogen carbonate;bromide;nitrate
SMILESO=C([O-])O.O=[N+]([O-])[O-].[Al+3].[Br-]
InChIInChI=1S/CH2O3.Al.BrH.NO3/c2-1(3)4;;;2-1(3)4/h(H2,2,3,4);;1H;/q;+3;;-1/p-2
InChIKeyQWZUAGFXIQWNCY-UHFFFAOYSA-L
MW229.91 g/mol
LogP-4.73
Rot. Bonds

About aluminum;hydrogen carbonate;bromide;nitrate

aluminum;hydrogen carbonate;bromide;nitrate (PubChem CID 174144944) has the molecular formula CHAlBrNO6 and a molecular weight of 229.91 g/mol. Its IUPAC name is aluminum;hydrogen carbonate;bromide;nitrate.

Molecular Properties

Compound Namealuminum;hydrogen carbonate;bromide;nitrate
PubChem CID174144944
Molecular FormulaCHAlBrNO6
Molecular Weight229.91 g/mol
Exact Mass228.88
IUPAC Namealuminum;hydrogen carbonate;bromide;nitrate
SMILESO=C([O-])O.O=[N+]([O-])[O-].[Al+3].[Br-]
InChIInChI=1S/CH2O3.Al.BrH.NO3/c2-1(3)4;;;2-1(3)4/h(H2,2,3,4);;1H;/q;+3;;-1/p-2
InChIKeyQWZUAGFXIQWNCY-UHFFFAOYSA-L
XLogP-4.73
TPSA126.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.91
LogP ≤ 5-4.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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bis(manganese(2+));carbonate;nitrate
CID 162081205
oxalate nitrate
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aluminum;hydrogen carbonate;oxygen(2-)
CID 90004700
cadmium(2+);hydrogen carbonate;chloride
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aluminum trinitrate
CID 26053
dipotassium;barium(2+);carbonate;dinitrate
CID 174817576
calcium;sodium;carbonate;nitrate
CID 158157140
manganese(2+);nickel(2+);carbonate;nitrate
CID 18466416

Frequently Asked Questions

What is the IUPAC name of aluminum;hydrogen carbonate;bromide;nitrate?
The IUPAC name of aluminum;hydrogen carbonate;bromide;nitrate (CID 174144944) is aluminum;hydrogen carbonate;bromide;nitrate.
What is the SMILES notation for aluminum;hydrogen carbonate;bromide;nitrate?
The canonical SMILES for aluminum;hydrogen carbonate;bromide;nitrate is O=C([O-])O.O=[N+]([O-])[O-].[Al+3].[Br-].
What is the InChIKey of aluminum;hydrogen carbonate;bromide;nitrate?
The InChIKey is QWZUAGFXIQWNCY-UHFFFAOYSA-L. The full InChI is InChI=1S/CH2O3.Al.BrH.NO3/c2-1(3)4;;;2-1(3)4/h(H2,2,3,4);;1H;/q;+3;;-1/p-2.
What are the key properties of aluminum;hydrogen carbonate;bromide;nitrate?
aluminum;hydrogen carbonate;bromide;nitrate has a molecular weight of 229.91 g/mol, XLogP of -4.73, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for aluminum;hydrogen carbonate;bromide;nitrate is sourced from PubChem (CID 174144944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).