CAS No.: 882-09-7 — Clofibric acid (2-(4-氯苯氧基)-2-甲基丙酸)

1. Primary Information

English name:	Clofibric acid
CAS No.:	882-09-7
Molecular formula:	C₁₀H₁₁ClO₃
Molecular weight:	214.64 g/mol
SMILES:	CC(C)(C(=O)O)OC1=CC=C(C=C1)Cl
Structural class:
Other identifiers:	2-(4-Chlorophenoxy)-2-methylpropionic Acid Clofibric Acid Clofibrinic Acid NSC 1149 NSC-1149

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	250mg	HPLC≥99%	240	2-8℃	in stock	-
Kehua Intelligence	25g	≥99%(HPLC)	32	2-8℃	in stock	-
Kehua Intelligence	100g	≥99%(HPLC)	96	2-8℃	in stock	-
Kehua Intelligence	500g	≥99%(HPLC)	448	2-8℃	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 25 25 0 0 0 0 0 0 0999 V2000 4.9133 -0.0251 -0.4025 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.8391 0.0422 0.7734 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1019 -0.0979 -0.7042 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3804 0.1327 1.4276 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7207 -0.0154 -0.3483 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4589 -1.3238 -1.0884 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4559 1.2079 -1.2210 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1276 0.0164 0.2343 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5007 0.0265 0.4997 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1787 1.2248 0.2985 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1763 -1.1878 0.4243 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5452 1.2089 0.0190 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5428 -1.2039 0.1450 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2274 -0.0055 -0.0576 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2241 -1.4964 -1.8544 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4992 -1.3361 -1.6145 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4908 -2.1821 -0.4076 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4797 2.1324 -0.6328 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2273 1.3033 -1.9944 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4996 1.1600 -1.7512 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6666 2.1790 0.3797 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6620 -2.1272 0.6041 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0667 2.1506 -0.1314 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0624 -2.1573 0.0935 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9980 -0.0749 -0.3059 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 2 5 1 0 0 0 0 2 9 1 0 0 0 0 3 8 1 0 0 0 0 3 25 1 0 0 0 0 4 8 2 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 6 15 1 0 0 0 0 6 16 1 0 0 0 0 6 17 1 0 0 0 0 7 18 1 0 0 0 0 7 19 1 0 0 0 0 7 20 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 10 12 1 0 0 0 0 10 21 1 0 0 0 0 11 13 2 0 0 0 0 11 22 1 0 0 0 0 12 14 2 0 0 0 0 12 23 1 0 0 0 0 13 14 1 0 0 0 0 13 24 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

2-(4-chlorophenoxy)-2-methylpropanoic acid

4.2 InChI

InChI=1S/C10H11ClO3/c1-10(2,9(12)13)14-8-5-3-7(11)4-6-8/h3-6H,1-2H3,(H,12,13)

4.3 InChIKey

TXCGAZHTZHNUAI-UHFFFAOYSA-N

4.4 Canonical SMILES

CC(C)(C(=O)O)OC1=CC=C(C=C1)Cl

4.5 Isomeric SMILES

4.6 SDF file

Coming soon

5. Spectroscopic data

5.1 ¹³C nuclear magnetic resonance (¹³C NMR)

5.2 ¹H nuclear magnetic resonance (¹H NMR)

5.3 Mass spectrometry (MS)

Coming soon

5.4 Infrared spectroscopy (IR)

Coming soon

5.5 Ultraviolet/visible spectroscopy (UV/Vis)

Coming soon

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)