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Ciprofibrate
CAS: 52214-84-3 | C13H14Cl2O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
52214-84-3
Molecular Formula:
C13H14Cl2O3
Molecular Mass:
289.16 g/mol
Names and Synonyms:
Ciprofibrate
Propanoic acid, 2-[4-(2,2-dichlorocyclopropyl)phenoxy]-2-methyl-
2-[4-(2,2-Dichlorocyclopropyl)phenoxy]-2-methylpropanoic acid
2-[p-(2,2-Dichlorocyclopropyl)phenoxy]-2-methylpropionic acid
Ciprofibrate
Win 35833
(±)-Ciprofibrate
Lipanor
Ciprol
Modalim
2-[4-(2,2-Dichloro-cyclopropyl)-phenoxy]-2-methyl-propionic acid
Identifiers:
SMILES:
CC(C)(Oc1ccc(C2CC2(Cl)Cl)cc1)C(=O)O
InChI:
InChI=1S/C13H14Cl2O3/c1-12(2,11(16)17)18-9-5-3-8(4-6-9)10-7-13(10,14)15/h3-6,10H,7H2,1-2H3,(H,16,17)
Key Properties
Melting Point
115 °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 | 289.16 g/mol | CAS Common Chemistry |
| 289.158 g/mol | RDKit | |
| 288.03199966799997 g/mol | RDKit | |
| Canonical SMILES | O=C(O)C(OC1=CC=C(C=C1)C2CC2(Cl)Cl)(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C13H14Cl2O3/c1-12(2,11(16)17)18-9-5-3-8(4-6-9)10-7-13(10,14)15/h3-6,10H,7H2,1-2H3,(H,16,17) | CAS Common Chemistry |
| InChI Key | InChIKey=KPSRODZRAIWAKH-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 115 °C | CAS Common Chemistry |
| Name | Ciprofibrate | CAS Common Chemistry |
| Heavy Atom Count | 18 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 46.53 Ų | RDKit |
| LogP | 3.589800000000003 | RDKit |
| Molar Refractivity | 70.57980000000003 | RDKit |
