CAS No.: 117428-22-5 — Picoxystrobin (啶氧菌酯)

1. Primary Information

English name:	Picoxystrobin
CAS No.:	117428-22-5
Molecular formula:	C₁₈H₁₆F₃NO₄
Molecular weight:	367.3 g/mol
SMILES:	COC=C(C1=CC=CC=C1COC2=CC=CC(=N2)C(F)(F)F)C(=O)OC
Structural class:
Other identifiers:	methyl (2E)-3-methoxy-2-(2-(6-(trifluoromethyl)-2-pyridyloxymethyl)phenyl)acrylate picoxystrobin

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	1.2ml	1000μg/ml in methylbenzene	312	2-8℃	in stock	-
Kehua Intelligence	1.2ml	100μg/ml in methylbenzene	152	2-8℃	in stock	-
Kehua Intelligence	1.2ml	1000μg/ml in methanol	312	2-8℃	in stock	-
Kehua Intelligence	100mg	98%	1192	2-8℃	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 42 43 0 0 0 0 0 0 0999 V2000 5.5863 1.1895 -0.2233 F 0 0 0 0 0 0 0 0 0 0 0 0 4.2177 1.4191 -1.8902 F 0 0 0 0 0 0 0 0 0 0 0 0 3.7249 2.2815 0.0443 F 0 0 0 0 0 0 0 0 0 0 0 0 0.2791 -1.3940 -0.3607 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5326 2.5511 -0.0851 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0394 -1.5928 2.1436 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8671 2.5668 2.1191 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2441 -0.1624 -0.4397 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7731 -0.5426 -1.2094 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7172 -0.1770 -0.2618 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3138 -0.2813 -1.0164 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1875 -1.1738 -2.3822 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0672 -0.4283 -0.4604 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3118 0.4910 0.9865 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5417 -1.4322 -2.5942 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4815 -1.0595 -1.6333 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6165 -1.3028 -0.0751 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1998 1.9743 1.1024 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0068 -0.2243 2.0807 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2406 -2.3620 0.5635 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5617 -0.0828 -0.1482 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2772 -1.0847 0.4875 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5967 -2.2428 0.8469 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2597 1.1742 -0.5474 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4793 3.9811 -0.1169 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0856 -2.0851 3.0697 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1591 -0.1374 -1.9980 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1487 0.6441 -0.4518 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4669 -1.4728 -3.1390 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8113 -0.1428 0.2788 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8644 -1.9243 -3.5071 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5360 -1.2606 -1.7985 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7119 0.2302 3.0188 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6946 -3.2578 0.8387 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3348 -0.9897 0.7078 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1218 -3.0509 1.3472 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4610 4.3262 0.0860 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7683 4.3095 -1.1188 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1826 4.4025 0.6076 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3578 -1.8096 4.0945 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0783 -1.7239 2.8347 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0784 -3.1771 3.0033 H 0 0 0 0 0 0 0 0 0 0 0 0 1 24 1 0 0 0 0 2 24 1 0 0 0 0 3 24 1 0 0 0 0 4 11 1 0 0 0 0 4 17 1 0 0 0 0 5 18 1 0 0 0 0 5 25 1 0 0 0 0 6 19 1 0 0 0 0 6 26 1 0 0 0 0 7 18 2 0 0 0 0 8 17 1 0 0 0 0 8 21 2 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 12 2 0 0 0 0 10 13 2 0 0 0 0 10 14 1 0 0 0 0 11 27 1 0 0 0 0 11 28 1 0 0 0 0 12 15 1 0 0 0 0 12 29 1 0 0 0 0 13 16 1 0 0 0 0 13 30 1 0 0 0 0 14 18 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 31 1 0 0 0 0 16 32 1 0 0 0 0 17 20 2 0 0 0 0 19 33 1 0 0 0 0 20 23 1 0 0 0 0 20 34 1 0 0 0 0 21 22 1 0 0 0 0 21 24 1 0 0 0 0 22 23 2 0 0 0 0 22 35 1 0 0 0 0 23 36 1 0 0 0 0 25 37 1 0 0 0 0 25 38 1 0 0 0 0 25 39 1 0 0 0 0 26 40 1 0 0 0 0 26 41 1 0 0 0 0 26 42 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

methyl (E)-3-methoxy-2-[2-[[6-(trifluoromethyl)pyridin-2-yl]oxymethyl]phenyl]prop-2-enoate

4.2 InChI

InChI=1S/C18H16F3NO4/c1-24-11-14(17(23)25-2)13-7-4-3-6-12(13)10-26-16-9-5-8-15(22-16)18(19,20)21/h3-9,11H,10H2,1-2H3/b14-11+

4.3 InChIKey

IBSNKSODLGJUMQ-SDNWHVSQSA-N

4.4 Canonical SMILES

COC=C(C1=CC=CC=C1COC2=CC=CC(=N2)C(F)(F)F)C(=O)OC

4.5 Isomeric SMILES

CO/C=C(\C1=CC=CC=C1COC2=CC=CC(=N2)C(F)(F)F)/C(=O)OC

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)