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Molecule
Clofibric Acid
CAS: 882-09-7 · C10H11ClO3
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 882-09-7
- Molecular Formula
- C10H11ClO3
- Molecular Mass
- 214.65 g/mol
Identifiers
CAS Registry Number
882-09-7
SMILES
CC(C)(Oc1ccc(Cl)cc1)C(=O)O
InChI Key
TXCGAZHTZHNUAI-UHFFFAOYSA-N
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)
Names and Synonyms
- Clofibric Acid Common Name
- Propanoic acid, 2-(4-chlorophenoxy)-2-methyl- Synonym
- Propionic acid, 2-(p-chlorophenoxy)-2-methyl- Synonym
- 2-(4-Chlorophenoxy)-2-methylpropanoic acid Synonym
- α-(p-Chlorophenoxy)isobutyric acid Synonym
- PCIB Synonym
- α-(4-Chlorophenoxy)-α-methylpropionic acid Synonym
- α-(4-Chlorophenoxy)isobutyric acid Synonym
- Regadrin Synonym
- Clofibric acid Synonym
- Clofibrate free acid Synonym
- 2-(p-Chlorophenoxy)isobutyric acid Synonym
- Chlorophibrinic acid Synonym
- PCPIB Synonym
- 2-(p-Chlorophenoxy)-2-methylpropionic acid Synonym
- 2-(4-Chlorophenoxy)-2-methylpropionic acid Synonym
- 4-Chlorophenoxyisobutyric acid Synonym
- (p-Chlorophenoxy)isobutyric acid Synonym
- Clofibrin Synonym
- Chlorofibrinic acid Synonym
- Chlorfibrinic acid Synonym
- Clofibrinic acid Synonym
- CPIBA Synonym
- CPIB Synonym
- Clofibrilic acid Synonym
- Regulipid Synonym
- Arteriohom Synonym
- NSC 1149 Synonym
- 2-[(4-Chlorophenyl)oxy]-2-methylpropionic acid Synonym
- 2-(p-Chlorophenoxy)-2-methylpropanoic acid Synonym
- 2-(4-Chlorophenoxy)-2-methylpropanic acid Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 214.65 g/mol | CAS Common Chemistry |
| 214.648 g/mol | RDKit | |
| 214.645 g/mol | chempirical lib | |
| 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 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.3 | RDKit |
| Exact Mass | 214.039671892 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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140
120
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40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 214.65 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C10H11ClO3.
