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Defol 5
CAS: 7775-09-9 | HClNaO3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
7775-09-9
Molecular Formula:
HClNaO3
Molecular Weight:
107.448 g/mol
Names and Synonyms:
Defol 5
Defol 750
Chlorate SL
Sodakem
Agrosan
Granex O
Kusa-tohru
Evau-Super
B-Herbatox
Asex
Desolet
Oxycil
Travex
Sodium Chlorate
Chloric acid, sodium salt (1:1)
Chloric acid, sodium salt
Atlacide
Sodium chlorate
VAL-DROP
Shed-A-Leaf
Sodium chlorate (NaClO3)
Identifiers:
SMILES:
[Na].[O-][Cl+2]([O-])O
InChI:
InChI=1S/ClHO3.Na/c2-1(3)4;/h(H,2,3,4);
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
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.
All Properties
Comprehensive physical and chemical properties
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 107.45 g/mol | Legacy Database |
| density | 2.50 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Sodium_chlorate None | Legacy Database |
| cas-boiling-point | 122 °C None | Legacy Database |
| cas-canonical-smile | [Na].O=Cl(=O)O None | Legacy Database |
| cas-density | 2.5 g/cm3 None | Legacy Database |
| cas-inchi | InChI=1S/ClHO3.Na/c2-1(3)4;/h(H,2,3,4); None | Legacy Database |
| cas-inchi-key | InChIKey=ANFIEGWCRSNVFS-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 248 °C None | Legacy Database |
| cas-name | Sodium chlorate None | Legacy Database |
| wikipedia-name | Sodium chlorate None | Legacy Database |
| LogP | -3.3158 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 107.448 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 106.951190852 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 5 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 3 count | RDKit |
| Hydrogen Bond Donors | 1 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 | 66.35 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 7.972799999999999 | RDKit |
