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Molecule
Chloropentamminecobalt Chloride
CAS: 13859-51-3 · H15Cl3CoN5
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 13859-51-3
- Molecular Formula
- H15Cl3CoN5
- Molecular Mass
- 250.45 g/mol
Identifiers
CAS Registry Number
13859-51-3
SMILES
N.N.N.N.N.[Cl-].[Cl-].[Cl-].[Co+3]
InChI Key
NSYALVBBDKTCLE-UHFFFAOYSA-K
InChI
InChI=1S/3ClH.Co.5H3N/h3*1H;;5*1H3/q;;;+3;;;;;/p-3
Names and Synonyms
- Chloropentamminecobalt Chloride Synonym
- Cobalt(2+), pentaamminechloro-, chloride (1:2), (OC-6-22)- Synonym
- Cobalt(2+), pentaamminechloro-, dichloride Synonym
- Cobalt(2+), pentaamminechloro-, dichloride, (OC-6-22)- Synonym
- Chloropentaamminecobalt dichloride Synonym
- Pentaammine chlorocobaltate(2+) dichloride Synonym
- Pentaamminechlorocobalt(2+) dichloride Synonym
- Chloropentaamminecobalt(III) chloride Synonym
- Chloropentaamminecobalt(III) dichloride Synonym
- Pentaaminechlorocobalt(III) chloride Synonym
- Pentaammine(chloro)cobalt(1+) dichloride Synonym
- NSC 130236 Synonym
- NSC 209794 Synonym
- NSC 251010 Synonym
- NSC 2911 Synonym
- NSC 4315 Synonym
- Pentaamminechlorocobalt(III) dichloride Synonym
- Pentaamminechlorocobalt(III) chloride Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 250.45 g/mol | CAS Common Chemistry |
| 250.447 g/mol | RDKit | |
| 255.478 g/mol | chempirical lib | |
| 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 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 248.97249852000002 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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5
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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.
External Resources
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MW = 250.45 g/mol. Edit any field — others recompute live.
