CAS No.: 644-62-2 — Meclofenamic Acid (甲氯芬那酸)

1. Primary Information

English name:	Meclofenamic Acid
CAS No.:	644-62-2
Molecular formula:	C₁₄H₁₁Cl₂NO₂
Molecular weight:	296.1 g/mol
SMILES:	CC1=C(C(=C(C=C1)Cl)NC2=CC=CC=C2C(=O)O)Cl
Structural class:
Other identifiers:	Benzoic acid, 2-((2,6-dichloro-3-methylphenyl)amino)-, monosodium salt, monohydrate Meclofenamate Meclofenamate Sodium Meclofenamate Sodium Anhydrous Meclofenamate Sodium Monohydrate

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	10mg	-	6000	2-8℃	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 30 31 0 0 0 0 0 0 0999 V2000 1.3615 -0.4334 -2.4629 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.9436 1.1817 2.7219 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -3.8813 1.5631 -1.3395 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0978 2.4822 -0.2914 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1023 0.5398 -0.0358 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2812 0.3546 0.1396 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2109 -0.3184 0.1391 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4491 -0.2795 -0.7416 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0775 -0.0974 -0.9194 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5087 0.1282 -0.1102 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8756 0.6217 1.3784 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0337 -0.0113 0.4960 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9943 -1.6284 0.5669 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2471 0.4393 1.5560 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5896 -0.7353 0.0681 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3324 -0.7606 -1.8478 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0752 -2.4917 0.7451 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3728 -2.0452 0.4958 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7688 1.4905 -0.5581 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3238 1.4643 -0.3906 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1004 -0.1475 0.6536 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0049 -2.0044 0.7691 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7184 0.6437 2.5140 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6141 -0.4155 -0.1033 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3100 -0.0620 -2.6907 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3772 -0.8448 -1.5286 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0197 -1.7540 -2.1864 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9068 -3.5114 1.0788 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2145 -2.7168 0.6380 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0563 2.4802 -1.6408 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 2 11 1 0 0 0 0 3 19 1 0 0 0 0 3 30 1 0 0 0 0 4 19 2 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 20 1 0 0 0 0 6 9 1 0 0 0 0 6 11 2 0 0 0 0 7 10 1 0 0 0 0 7 13 2 0 0 0 0 8 9 2 0 0 0 0 8 12 1 0 0 0 0 8 16 1 0 0 0 0 10 15 2 0 0 0 0 10 19 1 0 0 0 0 11 14 1 0 0 0 0 12 14 2 0 0 0 0 12 21 1 0 0 0 0 13 17 1 0 0 0 0 13 22 1 0 0 0 0 14 23 1 0 0 0 0 15 18 1 0 0 0 0 15 24 1 0 0 0 0 16 25 1 0 0 0 0 16 26 1 0 0 0 0 16 27 1 0 0 0 0 17 18 2 0 0 0 0 17 28 1 0 0 0 0 18 29 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

2-(2,6-dichloro-3-methylanilino)benzoic acid

4.2 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)

1. Primary Information

2. Suppliers & Pricing

3. Structures

3.1 2D structure

3.2 3D structure

4. International Nomenclature & Identifiers

4.1 IUPAC Name

4.2 InChI

4.3 InChIKey

4.4 Canonical SMILES

4.5 Isomeric SMILES

4.6 SDF file

5. Spectroscopic data

5.1 ¹³C nuclear magnetic resonance (¹³C NMR)

5.2 ¹H nuclear magnetic resonance (¹H NMR)

5.3 Mass spectrometry (MS)

5.4 Infrared spectroscopy (IR)

5.5 Ultraviolet/visible spectroscopy (UV/Vis)

1. Primary Information

2. Suppliers & Pricing

3. Structures

3.1 2D structure

3.2 3D structure

4. International Nomenclature & Identifiers

4.1 IUPAC Name

4.2 InChI

4.3 InChIKey

4.4 Canonical SMILES

4.5 Isomeric SMILES

4.6 SDF file

5. Spectroscopic data

5.1 13C nuclear magnetic resonance (13C NMR)

5.2 1H nuclear magnetic resonance (1H NMR)

5.3 Mass spectrometry (MS)

5.4 Infrared spectroscopy (IR)

5.5 Ultraviolet/visible spectroscopy (UV/Vis)

5.1 ¹³C nuclear magnetic resonance (¹³C NMR)

5.2 ¹H nuclear magnetic resonance (¹H NMR)