barium(2+);hydrogen carbonate;fluoride

CHBaFO3 — CID 142764038

IUPACbarium(2+);hydrogen carbonate;fluoride
SMILESO=C([O-])O.[Ba+2].[F-]
InChIInChI=1S/CH2O3.Ba.FH/c2-1(3)4;;/h(H2,2,3,4);;1H/q;+2;/p-2
InChIKeyOXGBLQUULYEGEA-UHFFFAOYSA-L
MW217.34 g/mol
LogP-4.49
Rot. Bonds

About barium(2+);hydrogen carbonate;fluoride

barium(2+);hydrogen carbonate;fluoride (PubChem CID 142764038) has the molecular formula CHBaFO3 and a molecular weight of 217.34 g/mol. Its IUPAC name is barium(2+);hydrogen carbonate;fluoride.

Molecular Properties

Compound Namebarium(2+);hydrogen carbonate;fluoride
PubChem CID142764038
Molecular FormulaCHBaFO3
Molecular Weight217.34 g/mol
Exact Mass217.90
IUPAC Namebarium(2+);hydrogen carbonate;fluoride
SMILESO=C([O-])O.[Ba+2].[F-]
InChIInChI=1S/CH2O3.Ba.FH/c2-1(3)4;;/h(H2,2,3,4);;1H/q;+2;/p-2
InChIKeyOXGBLQUULYEGEA-UHFFFAOYSA-L
XLogP-4.49
TPSA60.36 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.34
LogP ≤ 5-4.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of barium(2+);hydrogen carbonate;fluoride?
The IUPAC name of barium(2+);hydrogen carbonate;fluoride (CID 142764038) is barium(2+);hydrogen carbonate;fluoride.
What is the SMILES notation for barium(2+);hydrogen carbonate;fluoride?
The canonical SMILES for barium(2+);hydrogen carbonate;fluoride is O=C([O-])O.[Ba+2].[F-].
What is the InChIKey of barium(2+);hydrogen carbonate;fluoride?
The InChIKey is OXGBLQUULYEGEA-UHFFFAOYSA-L. The full InChI is InChI=1S/CH2O3.Ba.FH/c2-1(3)4;;/h(H2,2,3,4);;1H/q;+2;/p-2.
What are the key properties of barium(2+);hydrogen carbonate;fluoride?
barium(2+);hydrogen carbonate;fluoride has a molecular weight of 217.34 g/mol, XLogP of -4.49, 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;fluoride is sourced from PubChem (CID 142764038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).