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Ruthenium, Dichloro[(1,2,3,4,5-Η)-1,2,3,4,5-Pentamethyl-2,4-Cyclopentadien-1-Yl]-, Homopolymer
CAS: 96503-27-4 | C10H15Cl2Ru
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
96503-27-4
Molecular Formula:
C10H15Cl2Ru
Molecular Mass:
307.21 g/mol
Names and Synonyms:
Ruthenium, Dichloro[(1,2,3,4,5-Η)-1,2,3,4,5-Pentamethyl-2,4-Cyclopentadien-1-Yl]-, Homopolymer
Ruthenium, dichloro[(1,2,3,4,5-η)-1,2,3,4,5-pentamethyl-2,4-cyclopentadien-1-yl]-, homopolymer
1,3-Cyclopentadiene, 1,2,3,4,5-pentamethyl-, ruthenium complex, homopolymer
Identifiers:
SMILES:
Cc1c(C)c(C)[c-](C)c1C.[Cl-].[Cl-].[Ru+3]
InChI:
InChI=1S/C10H15.2ClH.Ru/c1-6-7(2)9(4)10(5)8(6)3;;;/h1-5H3;2*1H;/q-1;;;+3/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 | 307.21 g/mol | CAS Common Chemistry |
| 307.206 g/mol | RDKit | |
| 306.95943014 g/mol | RDKit | |
| Canonical SMILES | [Cl-][Ru+3]1234([Cl-])C=5(C)C4(C)=C3(C)[C-]2(C)C51C | CAS Common Chemistry |
| InChI | InChI=1S/C10H15.2ClH.Ru/c1-6-7(2)9(4)10(5)8(6)3;;;/h1-5H3;2*1H;/q-1;;;+3/p-2 | CAS Common Chemistry |
| InChI Key | InChIKey=CYZFXADFTDEWTL-UHFFFAOYSA-L | CAS Common Chemistry |
| Name | Ruthenium, dichloro[(1,2,3,4,5-η)-1,2,3,4,5-pentamethyl-2,4-cyclopentadien-1-yl]-, homopolymer | CAS Common Chemistry |
| Heavy Atom Count | 13 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | -3.0468999999999973 | RDKit |
| Molar Refractivity | 45.72000000000002 | RDKit |
