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Bis(Benzonitrile)Dichloroplatinum
CAS: 14873-63-3 | C14H10Cl2N2Pt
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
14873-63-3
Molecular Formula:
C14H10Cl2N2Pt
Molecular Mass:
472.23 g/mol
Names and Synonyms:
Bis(Benzonitrile)Dichloroplatinum
Platinum, bis(benzonitrile)dichloro-
Platinum, dichlorobis(benzonitrile)-
Benzonitrile, platinum complex
Bis(benzonitrile)dichloroplatinum
Bis(benzonitrile)platinum dichloride
Bis(benzonitrile)dichloroplatinum(II)
Dichlorobis(benzonitrile)platinum
Dibenzonitriledichloroplatinum
Identifiers:
SMILES:
N#Cc1ccccc1.N#Cc1ccccc1.[Cl-].[Cl-].[Pt+2]
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
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 472.23 g/mol | CAS Common Chemistry |
| 472.23199999999997 g/mol | RDKit | |
| 470.98689478 g/mol | RDKit | |
| 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 |
| Molar Refractivity | 62.314000000000036 | RDKit |
