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Molecule
Barium Perchlorate
CAS: 13465-95-7 · HBaClO4
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 13465-95-7
- Molecular Formula
- HBaClO4
- Molecular Mass
- 237.79 g/mol
Identifiers
CAS Registry Number
13465-95-7
SMILES
[Ba].[O-][Cl+3]([O-])([O-])O
InChI Key
LVZVMXTXJSUBSQ-UHFFFAOYSA-N
InChI
InChI=1S/Ba.ClHO4/c;2-1(3,4)5/h;(H,2,3,4,5)
Names and Synonyms
- Barium Perchlorate Synonym
- Perchloric acid, barium salt (2:1) Synonym
- Perchloric acid, barium salt Synonym
- Barium perchlorate Synonym
- Barium diperchlorate Synonym
- CPS 55R Synonym
- Barium perchlorate (Ba(ClO4)2) Synonym
- ADK Stab M-CPS 55R Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 237.79 g/mol | CAS Common Chemistry |
| 237.861583392 g/mol | RDKit | |
| 237.785 g/mol | RDKit | |
| 239.797 g/mol | chempirical lib | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Barium_perchlorate | CAS Common Chemistry |
| Canonical SMILES | [Ba].O=Cl(=O)(=O)O | CAS Common Chemistry |
| InChI | InChI=1S/Ba.ClHO4/c;2-1(3,4)5/h;(H,2,3,4,5) | CAS Common Chemistry |
| InChI Key | InChIKey=LVZVMXTXJSUBSQ-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Barium perchlorate | CAS Common Chemistry |
| Heavy Atom Count | 6 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 89.41 Ų | RDKit |
| LogP | -4.5047999999999995 | RDKit |
| -4.5048 | RDKit | |
| Molar Refractivity | 7.972799999999999 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 237.785 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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5
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 237.79 g/mol. Edit any field — others recompute live.
