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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 Weight:
242.702 g/mol
Names and Synonyms:
Clofibrate
Ethyl 2-(4-chlorophenoxy)-2-methylpropanoate
2-(4-Chlorophenoxy)isobutyric acid ethyl ester
NSC 79389
Apolan
Xyduril
Normolipol
Clofinit
Sklero-Tablinene
Artevil
Ticlobran
Abitrate
Sklerolip
Sklerepmexe
Arteriosan
Liprinal
Bioscleran
Ethyl p-chlorophenoxyisobutyrate
ECPIB
Misclerone
Ethyl 2-(4-chlorophenoxy)isobutyrate
Cartagyl
Claripex
Azionyl
Lipavil
Clofibrat
Lipomid
Hyclorate
Neo-Atromid
Lipavlon
Claripex CPIB
Normet
Clobren SF
Skleromexe
Serotinex
Recolip
Atromidin
Atheropront
Ateculon
Ateriosan
Anparton
Amotril
2-(p-Chlorophenoxy)-2-methylpropionic acid ethyl ester
Ethyl clofibrate
Ethyl α-(p-chlorophenoxy)-α-methylpropionate
Ethyl 2-(4-chlorophenoxy)-2-methylpropionate
p-Chlorophenoxyisobutyric acid ethyl ester
Miscleron
Ethyl α-(p-chlorophenoxy)isobutyrate
Ethyl α-(4-chlorophenoxy)isobutyrate
Regelan
Ethyl α-(4-chlorophenoxy)-α-methylpropionate
Ethyl 2-(p-chlorophenoxy)-2-methylpropionate
Ethyl 2-(p-chlorophenoxy)isobutyrate
EPIB
CPIB
Clofibrate
Atromid S
AY 61123
ICI 28257
Propionic acid, 2-(p-chlorophenoxy)-2-methyl-, ethyl ester
Propanoic acid, 2-(4-chlorophenoxy)-2-methyl-, ethyl ester
Identifiers:
SMILES:
CCOC(=O)C(C)(C)Oc1ccc(Cl)cc1
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
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 242.70 g/mol | Legacy Database |
| cas-boiling-point | 148-150 °C @ Press: 20 Torr None | Legacy Database |
| cas-canonical-smile | O=C(OCC)C(OC1=CC=C(Cl)C=C1)(C)C None | Legacy Database |
| cas-density | 1.138-1.144 g/cm3 @ Temp: 20 °C None | Legacy Database |
| cas-name | Clofibrate None | Legacy Database |
| cas-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 None | Legacy Database |
| cas-inchi-key | InChIKey=KNHUKKLJHYUCFP-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | <25 °C None | Legacy Database |
| LogP | 3.060500000000001 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 242.702 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 242.07097202 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 16 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 3 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 4 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 1 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 35.53 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 62.79200000000004 | RDKit |
