barium(2+);hydrogen carbonate;azide

CHBaN3O3 — CID 162151656

IUPACbarium(2+);hydrogen carbonate;azide
SMILESO=C([O-])O.[Ba+2].[N-]=[N+]=[N-]
InChIInChI=1S/CH2O3.Ba.N3/c2-1(3)4;;1-3-2/h(H2,2,3,4);;/q;+2;-1/p-1
InChIKeyZLHFWPUNDLGUDQ-UHFFFAOYSA-M
MW240.37 g/mol
LogP-0.63
Rot. Bonds

About barium(2+);hydrogen carbonate;azide

barium(2+);hydrogen carbonate;azide (PubChem CID 162151656) has the molecular formula CHBaN3O3 and a molecular weight of 240.37 g/mol. Its IUPAC name is barium(2+);hydrogen carbonate;azide.

Molecular Properties

Compound Namebarium(2+);hydrogen carbonate;azide
PubChem CID162151656
Molecular FormulaCHBaN3O3
Molecular Weight240.37 g/mol
Exact Mass240.91
IUPAC Namebarium(2+);hydrogen carbonate;azide
SMILESO=C([O-])O.[Ba+2].[N-]=[N+]=[N-]
InChIInChI=1S/CH2O3.Ba.N3/c2-1(3)4;;1-3-2/h(H2,2,3,4);;/q;+2;-1/p-1
InChIKeyZLHFWPUNDLGUDQ-UHFFFAOYSA-M
XLogP-0.63
TPSA119.06 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 5-0.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of barium(2+);hydrogen carbonate;azide?
The IUPAC name of barium(2+);hydrogen carbonate;azide (CID 162151656) is barium(2+);hydrogen carbonate;azide.
What is the SMILES notation for barium(2+);hydrogen carbonate;azide?
The canonical SMILES for barium(2+);hydrogen carbonate;azide is O=C([O-])O.[Ba+2].[N-]=[N+]=[N-].
What is the InChIKey of barium(2+);hydrogen carbonate;azide?
The InChIKey is ZLHFWPUNDLGUDQ-UHFFFAOYSA-M. The full InChI is InChI=1S/CH2O3.Ba.N3/c2-1(3)4;;1-3-2/h(H2,2,3,4);;/q;+2;-1/p-1.
What are the key properties of barium(2+);hydrogen carbonate;azide?
barium(2+);hydrogen carbonate;azide has a molecular weight of 240.37 g/mol, XLogP of -0.63, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for barium(2+);hydrogen carbonate;azide is sourced from PubChem (CID 162151656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).