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Chloropentamminecobalt Chloride
CAS: 13859-51-3 | H15Cl3CoN5
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
13859-51-3
Molecular Formula:
H15Cl3CoN5
Molecular Mass:
250.45 g/mol
Names and Synonyms:
Chloropentamminecobalt Chloride
Cobalt(2+), pentaamminechloro-, chloride (1:2), (OC-6-22)-
Cobalt(2+), pentaamminechloro-, dichloride
Cobalt(2+), pentaamminechloro-, dichloride, (OC-6-22)-
Chloropentaamminecobalt dichloride
Pentaammine chlorocobaltate(2+) dichloride
Pentaamminechlorocobalt(2+) dichloride
Chloropentaamminecobalt(III) chloride
Chloropentaamminecobalt(III) dichloride
Pentaaminechlorocobalt(III) chloride
Pentaammine(chloro)cobalt(1+) dichloride
NSC 130236
NSC 209794
NSC 251010
NSC 2911
NSC 4315
Pentaamminechlorocobalt(III) dichloride
Pentaamminechlorocobalt(III) chloride
Identifiers:
SMILES:
N.N.N.N.N.[Cl-].[Cl-].[Cl-].[Co+3]
InChI:
InChI=1S/3ClH.Co.5H3N/h3*1H;;5*1H3/q;;;+3;;;;;/p-3
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 | 250.45 g/mol | CAS Common Chemistry |
| 250.447 g/mol | RDKit | |
| 248.97249852000002 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Chloropentamminecobalt_chloride | CAS Common Chemistry |
| Canonical SMILES | [Cl-].[Cl-][Co+3]([NH3])([NH3])([NH3])([NH3])[NH3] | CAS Common Chemistry |
| InChI | InChI=1S/3ClH.Co.5H3N/h3*1H;;5*1H3/q;;;+3;;;;;/p-3 | CAS Common Chemistry |
| InChI Key | InChIKey=NSYALVBBDKTCLE-UHFFFAOYSA-K | CAS Common Chemistry |
| Name | Cobalt(2+), pentaamminechloro-, chloride (1:2), (OC-6-22)- | CAS Common Chemistry |
| Chloropentamminecobalt chloride | CAS Common Chemistry | |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 5 | RDKit |
| Hydrogen Bond Donors | 5 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 175.0 Ų | RDKit |
| LogP | -8.1805 | RDKit |
| Molar Refractivity | 25.110500000000016 | RDKit |
