Back to Search
Molecule
Barium Chlorate
CAS: 13477-00-4 · HBaClO3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 13477-00-4
- Molecular Formula
- HBaClO3
- Molecular Mass
- 221.79 g/mol
Identifiers
CAS Registry Number
13477-00-4
SMILES
[Ba].[O-][Cl+2]([O-])O
InChI Key
BLTSJXMIBAZRQZ-UHFFFAOYSA-N
InChI
InChI=1S/Ba.ClHO3/c;2-1(3)4/h;(H,2,3,4)
Names and Synonyms
- Barium Chlorate Synonym
- Chloric acid, barium salt (2:1) Synonym
- Chloric acid, barium salt Synonym
- Barium chlorate Synonym
- Barium chlorate (Ba(ClO3)2) Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 221.79 g/mol | CAS Common Chemistry |
| 221.866668772 g/mol | RDKit | |
| 221.786 g/mol | RDKit | |
| 223.798 g/mol | chempirical lib | |
| Density | 3.18 g/cm³ | CAS Common Chemistry |
| 3.179 g/cm3 | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Barium_chlorate | CAS Common Chemistry |
| Canonical SMILES | [Ba].O=Cl(=O)O | CAS Common Chemistry |
| InChI | InChI=1S/Ba.ClHO3/c;2-1(3)4/h;(H,2,3,4) | CAS Common Chemistry |
| InChI Key | InChIKey=BLTSJXMIBAZRQZ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 414 °C | CAS Common Chemistry |
| Name | Barium chlorate | CAS Common Chemistry |
| Heavy Atom Count | 5 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 66.35 Ų | RDKit |
| LogP | -3.3158 | RDKit |
| Molar Refractivity | 7.972799999999999 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 221.786 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
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
Convert
Quick conversion
MW = 221.79 g/mol; density = 3.180 g/mL. Edit any field — others recompute live.
