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Molecule
Chlorine Perchlorate
CAS: 27218-16-2 · Cl2O4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 27218-16-2
- Molecular Formula
- Cl2O4
- Molecular Mass
- 134.90 g/mol
Identifiers
CAS Registry Number
27218-16-2
SMILES
[O-][Cl+3]([O-])([O-])OCl
InChI Key
JRONPIZRZBBOBR-UHFFFAOYSA-N
InChI
InChI=1S/Cl2O4/c1-6-2(3,4)5
Names and Synonyms
- Chlorine Perchlorate Common Name
- Chlorine perchlorate (Cl(ClO4)) Synonym
- Chlorine oxide (Cl2O4) Synonym
- Chlorine perchlorate Synonym
- Chlorine chlorate oxide [Cl(ClO3)O] Synonym
- (Chlorooxy)chlorane trioxide Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 134.90 g/mol | CAS Common Chemistry |
| 134.902 g/mol | RDKit | |
| 134.896 g/mol | chempirical lib | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Chlorine_perchlorate | CAS Common Chemistry |
| Canonical SMILES | O=Cl(=O)(=O)OCl | CAS Common Chemistry |
| InChI | InChI=1S/Cl2O4/c1-6-2(3,4)5 | CAS Common Chemistry |
| InChI Key | InChIKey=JRONPIZRZBBOBR-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Chlorine perchlorate (Cl(ClO4)) | CAS Common Chemistry |
| Heavy Atom Count | 6 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 78.41 Ų | RDKit |
| LogP | -2.9459 | RDKit |
| Molar Refractivity | 6.938 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 133.91736384 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
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MW = 134.90 g/mol. Edit any field — others recompute live.
