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Molecule
Bis(Benzonitrile)Dichloroplatinum
CAS: 14873-63-3 · C14H10Cl2N2Pt
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 14873-63-3
- Molecular Formula
- C14H10Cl2N2Pt
- Molecular Mass
- 472.23 g/mol
Identifiers
CAS Registry Number
14873-63-3
SMILES
N#Cc1ccccc1.N#Cc1ccccc1.[Cl-].[Cl-].[Pt+2]
InChI Key
WAJRCRIROYMRKA-UHFFFAOYSA-L
InChI
InChI=1S/2C7H5N.2ClH.Pt/c2*8-6-7-4-2-1-3-5-7;;;/h2*1-5H;2*1H;/q;;;;+2/p-2
Names and Synonyms
- Bis(Benzonitrile)Dichloroplatinum Common Name
- Platinum, bis(benzonitrile)dichloro- Synonym
- Platinum, dichlorobis(benzonitrile)- Synonym
- Benzonitrile, platinum complex Synonym
- Bis(benzonitrile)dichloroplatinum Synonym
- Bis(benzonitrile)platinum dichloride Synonym
- Bis(benzonitrile)dichloroplatinum(II) Synonym
- Dichlorobis(benzonitrile)platinum Synonym
- Dibenzonitriledichloroplatinum Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 472.23 g/mol | CAS Common Chemistry |
| 472.23199999999997 g/mol | RDKit | |
| 472.232 g/mol | RDKit | |
| 476.264 g/mol | chempirical lib | |
| Canonical SMILES | [Cl-][Pt+2]([Cl-])([N]#CC=1C=CC=CC1)[N]#CC=2C=CC=CC2 | CAS Common Chemistry |
| InChI | InChI=1S/2C7H5N.2ClH.Pt/c2*8-6-7-4-2-1-3-5-7;;;/h2*1-5H;2*1H;/q;;;;+2/p-2 | CAS Common Chemistry |
| InChI Key | InChIKey=WAJRCRIROYMRKA-UHFFFAOYSA-L | CAS Common Chemistry |
| Name | Bis(benzonitrile)dichloroplatinum | CAS Common Chemistry |
| Heavy Atom Count | 19 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 47.58 Ų | RDKit |
| LogP | -2.877939999999999 | RDKit |
| -2.8779 | RDKit | |
| Molar Refractivity | 62.314000000000036 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 470.98689478 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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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 = 472.23 g/mol. Edit any field — others recompute live.
