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Cyclopentylmagnesium Bromide
CAS: 33240-34-5 | C5H9BrMg
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
33240-34-5
Molecular Formula:
C5H9BrMg
Molecular Mass:
173.34 g/mol
Names and Synonyms:
Cyclopentylmagnesium Bromide
Magnesium, bromocyclopentyl-
Cyclopentylmagnesium bromide
Bromocyclopentylmagnesium
Bromo(cyclopentyl)magnesium
Identifiers:
SMILES:
[Br-].[CH]1CCCC1.[Mg+]
InChI:
InChI=1S/C5H9.BrH.Mg/c1-2-4-5-3-1;;/h1H,2-5H2;1H;/q;;+1/p-1
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 | 173.34 g/mol | CAS Common Chemistry |
| 173.33599999999998 g/mol | RDKit | |
| 171.973804088 g/mol | RDKit | |
| Canonical SMILES | Br[Mg]C1CCCC1 | CAS Common Chemistry |
| InChI | InChI=1S/C5H9.BrH.Mg/c1-2-4-5-3-1;;/h1H,2-5H2;1H;/q;;+1/p-1 | CAS Common Chemistry |
| InChI Key | InChIKey=PZOJUJCALDFFHC-UHFFFAOYSA-M | CAS Common Chemistry |
| Name | Cyclopentylmagnesium bromide | CAS Common Chemistry |
| Heavy Atom Count | 7 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | -1.6121099999999995 | RDKit |
| Molar Refractivity | 28.521999999999988 | RDKit |
