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Molecule
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
Identifiers
CAS Registry Number
644-62-2
SMILES
Cc1ccc(Cl)c(Nc2ccccc2C(=O)O)c1Cl
InChI Key
SBDNJUWAMKYJOX-UHFFFAOYSA-N
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)
Names and Synonyms
- Meclofenamic Acid Common Name
- Benzoic acid, 2-[(2,6-dichloro-3-methylphenyl)amino]- Synonym
- Anthranilic acid, N-(2,6-dichloro-m-tolyl)- Synonym
- 2-[(2,6-Dichloro-3-methylphenyl)amino]benzoic acid Synonym
- N-(2,6-Dichloro-m-tolyl)anthranilic acid Synonym
- Meclofenamic acid Synonym
- Meclophenamic acid Synonym
- N-(3-Methyl-2,6-dichlorophenyl)anthranilic acid Synonym
- INF 4668 Synonym
- N-(2,6-Dichloro-3-methylphenyl)anthranilic acid Synonym
- Arquel Synonym
- NSC 95309 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 296.15 g/mol | CAS Common Chemistry |
| 296.153 g/mol | RDKit | |
| 296.147 g/mol | chempirical lib | |
| 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 |
| 4.7436 | RDKit | |
| Molar Refractivity | 77.88300000000002 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0714 | RDKit |
| 0.07 | chempirical lib | |
| Exact Mass | 295.01668395200005 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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| 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 = 296.15 g/mol; density = 1.430 g/mL. Edit any field — others recompute live.
