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Molecule
Chloric Acid, Barium Salt, Monohydrate
CAS: 10294-38-9 · H3BaClO4
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 10294-38-9
- Molecular Formula
- H3BaClO4
- Molecular Mass
- 239.80100000000002 g/mol
Identifiers
CAS Registry Number
10294-38-9
SMILES
O.[Ba].[O-][Cl+2]([O-])O
InChI Key
MGTQPPQWGMSTRB-UHFFFAOYSA-N
InChI
InChI=1S/Ba.ClHO3.H2O/c;2-1(3)4;/h;(H,2,3,4);1H2
Names and Synonyms
- Chloric Acid, Barium Salt, Monohydrate Synonym
- Chloric acid, barium salt, monohydrate Synonym
- Barium chlorate monohydrate Synonym
- Barium chlorate (Ba(ClO3)2), monohydrate Synonym
- Barium dichlorate monohydrate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Canonical SMILES | [Ba].O=Cl(=O)O.O | CAS Common Chemistry |
| InChI | InChI=1S/Ba.ClHO3.H2O/c;2-1(3)4;/h;(H,2,3,4);1H2 | CAS Common Chemistry |
| InChI Key | InChIKey=MGTQPPQWGMSTRB-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Chloric acid, barium salt, monohydrate | CAS Common Chemistry |
| Molecular Mass | 239.80100000000002 g/mol | RDKit |
| 239.877233456 g/mol | RDKit | |
| 239.801 g/mol | RDKit | |
| 241.813 g/mol | chempirical lib | |
| Heavy Atom Count | 6 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 97.85000000000001 Ų | RDKit |
| 97.85 Ų | RDKit | |
| LogP | -4.1405 | RDKit |
| Molar Refractivity | 11.586599999999999 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 239.80 g/mol | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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8
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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 = 239.80 g/mol. Edit any field — others recompute live.
