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Molecule
Clofibrate
CAS: 637-07-0 · C12H15ClO3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 637-07-0
- Molecular Formula
- C12H15ClO3
- Molecular Mass
- 242.70 g/mol
Identifiers
CAS Registry Number
637-07-0
SMILES
CCOC(=O)C(C)(C)Oc1ccc(Cl)cc1
InChI Key
KNHUKKLJHYUCFP-UHFFFAOYSA-N
InChI
InChI=1S/C12H15ClO3/c1-4-15-11(14)12(2,3)16-10-7-5-9(13)6-8-10/h5-8H,4H2,1-3H3
Names and Synonyms
- Clofibrate Common Name
- Propanoic acid, 2-(4-chlorophenoxy)-2-methyl-, ethyl ester Synonym
- Propionic acid, 2-(p-chlorophenoxy)-2-methyl-, ethyl ester Synonym
- ICI 28257 Synonym
- AY 61123 Synonym
- Atromid S Synonym
- Clofibrate Synonym
- CPIB Synonym
- EPIB Synonym
- Ethyl 2-(p-chlorophenoxy)isobutyrate Synonym
- Ethyl 2-(p-chlorophenoxy)-2-methylpropionate Synonym
- Ethyl α-(4-chlorophenoxy)-α-methylpropionate Synonym
- Regelan Synonym
- Ethyl α-(4-chlorophenoxy)isobutyrate Synonym
- Ethyl α-(p-chlorophenoxy)isobutyrate Synonym
- Miscleron Synonym
- p-Chlorophenoxyisobutyric acid ethyl ester Synonym
- Ethyl 2-(4-chlorophenoxy)-2-methylpropionate Synonym
- Ethyl α-(p-chlorophenoxy)-α-methylpropionate Synonym
- Ethyl clofibrate Synonym
- 2-(p-Chlorophenoxy)-2-methylpropionic acid ethyl ester Synonym
- Amotril Synonym
- Anparton Synonym
- Ateriosan Synonym
- Ateculon Synonym
- Atheropront Synonym
- Atromidin Synonym
- Recolip Synonym
- Serotinex Synonym
- Skleromexe Synonym
- Clobren SF Synonym
- Normet Synonym
- Claripex CPIB Synonym
- Lipavlon Synonym
- Neo-Atromid Synonym
- Hyclorate Synonym
- Lipomid Synonym
- Clofibrat Synonym
- Lipavil Synonym
- Azionyl Synonym
- Claripex Synonym
- Cartagyl Synonym
- Ethyl 2-(4-chlorophenoxy)isobutyrate Synonym
- Misclerone Synonym
- ECPIB Synonym
- Ethyl p-chlorophenoxyisobutyrate Synonym
- Bioscleran Synonym
- Liprinal Synonym
- Arteriosan Synonym
- Sklerepmexe Synonym
- Sklerolip Synonym
- Abitrate Synonym
- Ticlobran Synonym
- Artevil Synonym
- Sklero-Tablinene Synonym
- Clofinit Synonym
- Normolipol Synonym
- Xyduril Synonym
- Apolan Synonym
- NSC 79389 Synonym
- 2-(4-Chlorophenoxy)isobutyric acid ethyl ester Synonym
- Ethyl 2-(4-chlorophenoxy)-2-methylpropanoate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 242.70 g/mol | CAS Common Chemistry |
| 242.702 g/mol | RDKit | |
| 242.699 g/mol | chempirical lib | |
| Canonical SMILES | O=C(OCC)C(OC1=CC=C(Cl)C=C1)(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C12H15ClO3/c1-4-15-11(14)12(2,3)16-10-7-5-9(13)6-8-10/h5-8H,4H2,1-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=KNHUKKLJHYUCFP-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | <25 °C | CAS Common Chemistry |
| Name | Clofibrate | CAS Common Chemistry |
| Heavy Atom Count | 16 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 35.53 Ų | RDKit |
| LogP | 3.060500000000001 | RDKit |
| 3.0605 | RDKit | |
| 3.01 | chempirical lib | |
| Molar Refractivity | 62.79200000000004 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.4167 | RDKit |
| 0.42 | chempirical lib | |
| Exact Mass | 242.07097202 g/mol | RDKit |
| Boiling Point | 148-150 °C @ 20 Torr | CAS Common Chemistry |
| Density | 1.138-1.144 g/cm3 @ 20 °C | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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MW = 242.70 g/mol. Edit any field — others recompute live.
