Back to Search
Tolfenamic Acid
CAS: 13710-19-5 | C14H12ClNO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
13710-19-5
Molecular Formula:
C14H12ClNO2
Molecular Mass:
261.71 g/mol
Names and Synonyms:
Tolfenamic Acid
Benzoic acid, 2-[(3-chloro-2-methylphenyl)amino]-
Anthranilic acid, N-(3-chloro-o-tolyl)-
2-[(3-Chloro-2-methylphenyl)amino]benzoic acid
N-(2-Methyl-3-chlorophenyl)anthranilic acid
N-(3-Chloro-o-tolyl)anthranilic acid
Tolfenamic acid
GEA 6414
Clotam
Tolfedine
Tolfine
Migea
Tolfenamate
2-(3-Chloro-2-methylanilino)benzoic acid
Identifiers:
SMILES:
Cc1c(Cl)cccc1Nc1ccccc1C(=O)O
InChI:
InChI=1S/C14H12ClNO2/c1-9-11(15)6-4-8-12(9)16-13-7-3-2-5-10(13)14(17)18/h2-8,16H,1H3,(H,17,18)
Key Properties
Melting Point
207-207.5 °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 | 261.71 g/mol | CAS Common Chemistry |
| 261.70799999999997 g/mol | RDKit | |
| 261.055656304 g/mol | RDKit | |
| Canonical SMILES | O=C(O)C=1C=CC=CC1NC=2C=CC=C(Cl)C2C | CAS Common Chemistry |
| InChI | InChI=1S/C14H12ClNO2/c1-9-11(15)6-4-8-12(9)16-13-7-3-2-5-10(13)14(17)18/h2-8,16H,1H3,(H,17,18) | CAS Common Chemistry |
| InChI Key | InChIKey=YEZNLOUZAIOMLT-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 207-207.5 °C | CAS Common Chemistry |
| Name | Tolfenamic acid | CAS Common Chemistry |
| Heavy Atom Count | 18 | 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 | 4.090220000000002 | RDKit |
| Molar Refractivity | 72.87300000000003 | RDKit |
