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Molecule
Cyclopropylmagnesium Bromide
CAS: 23719-80-4 · C3H5BrMg
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 23719-80-4
- Molecular Formula
- C3H5BrMg
- Molecular Mass
- 145.28 g/mol
Identifiers
CAS Registry Number
23719-80-4
SMILES
[Br-].[CH]1CC1.[Mg+]
InChI Key
QUPLLJGAJVXXBW-UHFFFAOYSA-M
InChI
InChI=1S/C3H5.BrH.Mg/c1-2-3-1;;/h1H,2-3H2;1H;/q;;+1/p-1
Names and Synonyms
- Cyclopropylmagnesium Bromide Common Name
- Magnesium, bromocyclopropyl- Synonym
- Bromocyclopropylmagnesium Synonym
- Cyclopropylmagnesium bromide Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 145.28 g/mol | CAS Common Chemistry |
| 145.28199999999998 g/mol | RDKit | |
| 145.282 g/mol | RDKit | |
| 148.306 g/mol | chempirical lib | |
| Canonical SMILES | Br[Mg]C1CC1 | CAS Common Chemistry |
| InChI | InChI=1S/C3H5.BrH.Mg/c1-2-3-1;;/h1H,2-3H2;1H;/q;;+1/p-1 | CAS Common Chemistry |
| InChI Key | InChIKey=QUPLLJGAJVXXBW-UHFFFAOYSA-M | CAS Common Chemistry |
| Name | Cyclopropylmagnesium bromide | CAS Common Chemistry |
| Heavy Atom Count | 5 | 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 | -2.3923099999999993 | RDKit |
| -2.3923 | RDKit | |
| Molar Refractivity | 19.287999999999997 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.6667 | RDKit |
| Exact Mass | 143.94250396 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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120
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20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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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 = 145.28 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C3H5BrMg.
