Back to Search
Clofibric Acid
CAS: 882-09-7 | C10H11ClO3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
882-09-7
Molecular Formula:
C10H11ClO3
Molecular Mass:
214.65 g/mol
Names and Synonyms:
Clofibric Acid
Propanoic acid, 2-(4-chlorophenoxy)-2-methyl-
Propionic acid, 2-(p-chlorophenoxy)-2-methyl-
2-(4-Chlorophenoxy)-2-methylpropanoic acid
α-(p-Chlorophenoxy)isobutyric acid
PCIB
α-(4-Chlorophenoxy)-α-methylpropionic acid
α-(4-Chlorophenoxy)isobutyric acid
Regadrin
Clofibric acid
Clofibrate free acid
2-(p-Chlorophenoxy)isobutyric acid
Chlorophibrinic acid
PCPIB
2-(p-Chlorophenoxy)-2-methylpropionic acid
2-(4-Chlorophenoxy)-2-methylpropionic acid
4-Chlorophenoxyisobutyric acid
(p-Chlorophenoxy)isobutyric acid
Clofibrin
Chlorofibrinic acid
Chlorfibrinic acid
Clofibrinic acid
CPIBA
CPIB
Clofibrilic acid
Regulipid
Arteriohom
NSC 1149
2-[(4-Chlorophenyl)oxy]-2-methylpropionic acid
2-(p-Chlorophenoxy)-2-methylpropanoic acid
2-(4-Chlorophenoxy)-2-methylpropanic acid
Identifiers:
SMILES:
CC(C)(Oc1ccc(Cl)cc1)C(=O)O
InChI:
InChI=1S/C10H11ClO3/c1-10(2,9(12)13)14-8-5-3-7(11)4-6-8/h3-6H,1-2H3,(H,12,13)
Key Properties
Boiling Point
40-60 °C
CAS Common Chemistry
Melting Point
118-119 °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 | 214.65 g/mol | CAS Common Chemistry |
| 214.648 g/mol | RDKit | |
| 214.039671892 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Clofibric_acid | CAS Common Chemistry |
| Boiling Point | 40-60 °C | CAS Common Chemistry |
| Canonical SMILES | O=C(O)C(OC1=CC=C(Cl)C=C1)(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C10H11ClO3/c1-10(2,9(12)13)14-8-5-3-7(11)4-6-8/h3-6H,1-2H3,(H,12,13) | CAS Common Chemistry |
| InChI Key | InChIKey=TXCGAZHTZHNUAI-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 118-119 °C | CAS Common Chemistry |
| Name | Clofibric acid | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 46.53 Ų | RDKit |
| LogP | 2.582 | RDKit |
| Molar Refractivity | 53.79480000000002 | RDKit |
