Back to Search
Meclofenamic Acid
CAS: 644-62-2 | C14H11Cl2NO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
644-62-2
Molecular Formula:
C14H11Cl2NO2
Molecular Mass:
296.15 g/mol
Names and Synonyms:
Meclofenamic Acid
Benzoic acid, 2-[(2,6-dichloro-3-methylphenyl)amino]-
Anthranilic acid, N-(2,6-dichloro-m-tolyl)-
2-[(2,6-Dichloro-3-methylphenyl)amino]benzoic acid
N-(2,6-Dichloro-m-tolyl)anthranilic acid
Meclofenamic acid
Meclophenamic acid
N-(3-Methyl-2,6-dichlorophenyl)anthranilic acid
INF 4668
N-(2,6-Dichloro-3-methylphenyl)anthranilic acid
Arquel
NSC 95309
Identifiers:
SMILES:
Cc1ccc(Cl)c(Nc2ccccc2C(=O)O)c1Cl
InChI:
InChI=1S/C14H11Cl2NO2/c1-8-6-7-10(15)13(12(8)16)17-11-5-3-2-4-9(11)14(18)19/h2-7,17H,1H3,(H,18,19)
Key Properties
Melting Point
257 °C
CAS Common Chemistry
Density
1.43 g/cm³
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 | 296.15 g/mol | CAS Common Chemistry |
| 296.153 g/mol | RDKit | |
| 295.01668395200005 g/mol | RDKit | |
| Density | 1.43 g/cm³ | CAS Common Chemistry |
| 1.43 g/cm3 | CAS Common Chemistry | |
| Canonical SMILES | O=C(O)C=1C=CC=CC1NC=2C(Cl)=CC=C(C2Cl)C | CAS Common Chemistry |
| InChI | InChI=1S/C14H11Cl2NO2/c1-8-6-7-10(15)13(12(8)16)17-11-5-3-2-4-9(11)14(18)19/h2-7,17H,1H3,(H,18,19) | CAS Common Chemistry |
| InChI Key | InChIKey=SBDNJUWAMKYJOX-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 257 °C | CAS Common Chemistry |
| Name | Meclofenamic acid | CAS Common Chemistry |
| Heavy Atom Count | 19 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 49.33 Ų | RDKit |
| LogP | 4.743620000000003 | RDKit |
| Molar Refractivity | 77.88300000000002 | RDKit |
