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Ammonium Chlorate
CAS: 10192-29-7 | H4ClNO3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
10192-29-7
Molecular Formula:
H4ClNO3
Molecular Weight:
101.48899999999999 g/mol
Names and Synonyms:
Ammonium Chlorate
Chloric acid, ammonium salt
Ammonium chlorate
Ammonium chlorate (NH4ClO3)
Identifiers:
SMILES:
N.[O-][Cl+2]([O-])O
InChI:
InChI=1S/ClHO3.H3N/c2-1(3)4;/h(H,2,3,4);1H3
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
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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 |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 101.49 g/mol | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Ammonium_chlorate None | Legacy Database |
| cas-canonical-smile | O=Cl(=O)O.N None | Legacy Database |
| cas-inchi | InChI=1S/ClHO3.H3N/c2-1(3)4;/h(H,2,3,4);1H3 None | Legacy Database |
| cas-inchi-key | InChIKey=KHPLPBHMTCTCHA-UHFFFAOYSA-N None | Legacy Database |
| cas-name | Ammonium chlorate None | Legacy Database |
| wikipedia-name | Ammonium chlorate None | Legacy Database |
| LogP | -2.773 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 101.48899999999999 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 100.987970668 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 5 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 4 count | RDKit |
| Hydrogen Bond Donors | 2 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 0 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 101.35000000000001 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 7.2409 | RDKit |
