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Clofibrate
CAS: 637-07-0 | C12H15ClO3
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
637-07-0
Molecular Formula:
C12H15ClO3
Molecular Mass:
242.70 g/mol
Names and Synonyms:
Clofibrate
Propanoic acid, 2-(4-chlorophenoxy)-2-methyl-, ethyl ester
Propionic acid, 2-(p-chlorophenoxy)-2-methyl-, ethyl ester
ICI 28257
AY 61123
Atromid S
Clofibrate
CPIB
EPIB
Ethyl 2-(p-chlorophenoxy)isobutyrate
Ethyl 2-(p-chlorophenoxy)-2-methylpropionate
Ethyl α-(4-chlorophenoxy)-α-methylpropionate
Regelan
Ethyl α-(4-chlorophenoxy)isobutyrate
Ethyl α-(p-chlorophenoxy)isobutyrate
Miscleron
p-Chlorophenoxyisobutyric acid ethyl ester
Ethyl 2-(4-chlorophenoxy)-2-methylpropionate
Ethyl α-(p-chlorophenoxy)-α-methylpropionate
Ethyl clofibrate
2-(p-Chlorophenoxy)-2-methylpropionic acid ethyl ester
Amotril
Anparton
Ateriosan
Ateculon
Atheropront
Atromidin
Recolip
Serotinex
Skleromexe
Clobren SF
Normet
Claripex CPIB
Lipavlon
Neo-Atromid
Hyclorate
Lipomid
Clofibrat
Lipavil
Azionyl
Claripex
Cartagyl
Ethyl 2-(4-chlorophenoxy)isobutyrate
Misclerone
ECPIB
Ethyl p-chlorophenoxyisobutyrate
Bioscleran
Liprinal
Arteriosan
Sklerepmexe
Sklerolip
Abitrate
Ticlobran
Artevil
Sklero-Tablinene
Clofinit
Normolipol
Xyduril
Apolan
NSC 79389
2-(4-Chlorophenoxy)isobutyric acid ethyl ester
Ethyl 2-(4-chlorophenoxy)-2-methylpropanoate
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
Key Properties
Boiling Point
148-150 °C @ Press: 20 Torr
CAS Common Chemistry
Melting Point
<25 °C
CAS Common Chemistry
Density
1.138-1.144 g/cm3 @ Temp: 20 °C
CAS Common Chemistry
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 242.70 g/mol | CAS Common Chemistry |
| 242.702 g/mol | RDKit | |
| 242.07097202 g/mol | RDKit | |
| Boiling Point | 148-150 °C @ Press: 20 Torr | CAS Common Chemistry |
| Canonical SMILES | O=C(OCC)C(OC1=CC=C(Cl)C=C1)(C)C | CAS Common Chemistry |
| Density | 1.138-1.144 g/cm3 @ Temp: 20 °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 |
| Molar Refractivity | 62.79200000000004 | RDKit |
