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Molecule
Cyclopentanecarbonyl Chloride
CAS: 4524-93-0 · C6H9ClO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 4524-93-0
- Molecular Formula
- C6H9ClO
- Molecular Mass
- 132.59 g/mol
Identifiers
CAS Registry Number
4524-93-0
SMILES
O=C(Cl)C1CCCC1
InChI Key
WEPUZBYKXNKSDH-UHFFFAOYSA-N
InChI
InChI=1S/C6H9ClO/c7-6(8)5-3-1-2-4-5/h5H,1-4H2
Names and Synonyms
- Cyclopentanecarbonyl Chloride Common Name
- Cyclopentanecarbonyl chloride Synonym
- Cyclopentanoyl chloride Synonym
- Cyclopentylcarbonyl chloride Synonym
- Cyclopentanecarboxylic acid chloride Synonym
- 1-Cyclopentanecarbonyl chloride Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 132.59 g/mol | CAS Common Chemistry |
| 132.587 g/mol | chempirical lib | |
| Boiling Point | 160-162 °C | CAS Common Chemistry |
| Canonical SMILES | O=C(Cl)C1CCCC1 | CAS Common Chemistry |
| InChI | InChI=1S/C6H9ClO/c7-6(8)5-3-1-2-4-5/h5H,1-4H2 | CAS Common Chemistry |
| InChI Key | InChIKey=WEPUZBYKXNKSDH-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Cyclopentanecarbonyl chloride | CAS Common Chemistry |
| Heavy Atom Count | 8 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 17.07 Ų | RDKit |
| LogP | 1.942 | RDKit |
| Molar Refractivity | 32.81799999999999 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.8333 | RDKit |
| 0.83 | chempirical lib | |
| Exact Mass | 132.034192588 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
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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 = 132.59 g/mol. Edit any field — others recompute live.
