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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 Weight:
132.59 g/mol
Names and Synonyms:
Cyclopentanecarbonyl Chloride
1-Cyclopentanecarbonyl chloride
Cyclopentanecarboxylic acid chloride
Cyclopentylcarbonyl chloride
Cyclopentanoyl chloride
Cyclopentanecarbonyl chloride
Identifiers:
SMILES:
O=C(Cl)C1CCCC1
InChI:
InChI=1S/C6H9ClO/c7-6(8)5-3-1-2-4-5/h5H,1-4H2
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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 132.59 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 132.034192588 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 8 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 1 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 1 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 17.07 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 1.942 | RDKit |
| molecular_mass | 132.59 g/mol | Legacy Database |
| cas-boiling-point | 160-162 °C None | Legacy Database |
| cas-canonical-smile | O=C(Cl)C1CCCC1 None | Legacy Database |
| cas-inchi | InChI=1S/C6H9ClO/c7-6(8)5-3-1-2-4-5/h5H,1-4H2 None | Legacy Database |
| cas-inchi-key | InChIKey=WEPUZBYKXNKSDH-UHFFFAOYSA-N None | Legacy Database |
| cas-name | Cyclopentanecarbonyl chloride None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 32.81799999999999 | RDKit |
