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Molecule
Molybdenum Dichloride Dioxide
CAS: 13637-68-8 · Cl2MoO2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 13637-68-8
- Molecular Formula
- Cl2MoO2
- Molecular Mass
- 198.844 g/mol
Identifiers
CAS Registry Number
13637-68-8
SMILES
[Cl-].[Cl-].[Mo+2].[O].[O]
InChI Key
JCFNAADCQWXIJD-UHFFFAOYSA-L
InChI
InChI=1S/2ClH.Mo.2O/h2*1H;;;/q;;+2;;/p-2
Names and Synonyms
- Molybdenum Dichloride Dioxide Common Name
- Molybdenum chloride oxide (MoCl2O2), (T-4)- Synonym
- Molybdenum chloride oxide (MoO2Cl2) Synonym
- Molybdenum chloride (MoO2Cl2) Synonym
- Molybdenum dioxide dichloride Synonym
- Molybdenum dioxychloride Synonym
- Molybdenum dichloride dioxide Synonym
- Molybdenum oxychloride (MoO2Cl2) Synonym
- Molybdyl chloride Synonym
- Dichlorodioxomolybdenum Synonym
- Molybdenum chloride oxide (MoCl2O2) Synonym
- Dichlorodioxomolybdenum(VI) Synonym
- Molybdenum dioxodichloride Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Wikipedia Url | https://en.wikipedia.org/wiki/Molybdenum_dichloride_dioxide | CAS Common Chemistry |
| Canonical SMILES | O=[Mo](=O)(Cl)Cl | CAS Common Chemistry |
| InChI | InChI=1S/2ClH.Mo.2O/h2*1H;;;/q;;+2;;/p-2 | CAS Common Chemistry |
| InChI Key | InChIKey=JCFNAADCQWXIJD-UHFFFAOYSA-L | CAS Common Chemistry |
| Melting Point | 298 °C | CAS Common Chemistry |
| Name | Molybdenum chloride oxide (MoCl2O2), (T-4)- | CAS Common Chemistry |
| Molecular Mass | 198.844 g/mol | RDKit |
| 199.8329428 g/mol | RDKit | |
| 206.912 g/mol | chempirical lib | |
| Heavy Atom Count | 5 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 57.0 Ų | RDKit |
| LogP | -6.232100000000001 | RDKit |
| -6.2321 | RDKit | |
| Molar Refractivity | 1.373 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 198.84 g/mol | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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200 ppm
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| 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.
External Resources
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MW = 198.84 g/mol. Edit any field — others recompute live.
