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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 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.

External Resources

All Properties

Comprehensive physical and chemical properties

Category Property Value Source
Molecular Molecular Weight 242.702 g/mol RDKit
Exact Exact Molecular Weight 242.07097202 g/mol RDKit
Heavy Heavy Atom Count 16 count RDKit
Hydrogen Hydrogen Bond Acceptors 3 count RDKit
Hydrogen Bond Donors 0 count RDKit
Rotatable Rotatable Bonds 4 count RDKit
Aromatic Aromatic Ring Count 1 count RDKit
Topological Topological Polar Surface Area 35.53 Ų RDKit
Physical Properties LogP 3.060500000000001 RDKit
molecular_mass 242.70 g/mol Legacy Database
cas-boiling-point 148-150 °C @ Press: 20 Torr Legacy Database
cas-canonical-smile O=C(OCC)C(OC1=CC=C(Cl)C=C1)(C)C Legacy Database
cas-density 1.138-1.144 g/cm3 @ Temp: 20 °C Legacy Database
cas-name Clofibrate 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 Legacy Database
cas-inchi-key InChIKey=KNHUKKLJHYUCFP-UHFFFAOYSA-N Legacy Database
cas-melting-point <25 °C Legacy Database
Molar Molar Refractivity 62.79200000000004 RDKit

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