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Molecule
Diclofenac Potassium
CAS: 15307-81-0 · C14H11Cl2KNO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 15307-81-0
- Molecular Formula
- C14H11Cl2KNO2
- Molecular Mass
- 335.25 g/mol
Identifiers
CAS Registry Number
15307-81-0
SMILES
O=C(O)Cc1ccccc1Nc1c(Cl)cccc1Cl.[K]
InChI Key
NNXQGCHUKGEXEI-UHFFFAOYSA-N
InChI
InChI=1S/C14H11Cl2NO2.K/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(18)19;/h1-7,17H,8H2,(H,18,19);
Names and Synonyms
- Diclofenac Potassium Synonym
- Benzeneacetic acid, 2-[(2,6-dichlorophenyl)amino]-, potassium salt (1:1) Synonym
- Acetic acid, [o-(2,6-dichloroanilino)phenyl]-, monopotassium salt Synonym
- Benzeneacetic acid, 2-[(2,6-dichlorophenyl)amino]-, monopotassium salt Synonym
- Potassium diclofenac Synonym
- Diclofenac potassium Synonym
- CGP 45840B Synonym
- Cataflam Synonym
- ProSorb Synonym
- K-fenak Synonym
- Caflam Synonym
- Zipsor Synonym
- Cambia Synonym
- K-Fenak Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 335.25 g/mol | CAS Common Chemistry |
| 335.25100000000003 g/mol | RDKit | |
| 335.251 g/mol | RDKit | |
| 336.253 g/mol | chempirical lib | |
| Canonical SMILES | [K].O=C(O)CC=1C=CC=CC1NC=2C(Cl)=CC=CC2Cl | CAS Common Chemistry |
| InChI | InChI=1S/C14H11Cl2NO2.K/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(18)19;/h1-7,17H,8H2,(H,18,19); | CAS Common Chemistry |
| InChI Key | InChIKey=NNXQGCHUKGEXEI-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 300-330 °C | CAS Common Chemistry |
| Name | Diclofenac potassium | CAS Common Chemistry |
| Heavy Atom Count | 20 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 49.33 Ų | RDKit |
| LogP | 3.9833000000000016 | RDKit |
| 3.9833 | RDKit | |
| Molar Refractivity | 83.28050000000003 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0714 | RDKit |
| 0.07 | chempirical lib | |
| Exact Mass | 333.980390632 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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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 = 335.25 g/mol. Edit any field — others recompute live.
