CAS No.: 105512-06-9 — Clodinafop-Propargyl (-)

1. Primary Information

English name:	Clodinafop-Propargyl
CAS No.:	105512-06-9
Molecular formula:	C₁₇H₁₃ClFNO₄
Molecular weight:	349.7 g/mol
SMILES:	CC(C(=O)OCC#C)OC1=CC=C(C=C1)OC2=C(C=C(C=N2)Cl)F
Structural class:
Other identifiers:	clodinafop-propargyl

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	1ml	1000μg/ml in acetone	312	2-8℃	in stock	-
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	100mg	99%	736	2-8℃	in stock	-
Kehua Intelligence	1.2ml	100μg/ml in methanol	121	-20℃，避光	in stock	-
Kehua Intelligence	1.2ml	1000 μg/mL in methanol	249	-20℃，避光	in stock	-
Kehua Intelligence	1g	≥95%(HPLC)	64	2-8℃	in stock	-
Kehua Intelligence	5g	≥95%(HPLC)	204	2-8℃	in stock	-
Kehua Intelligence	25g	≥95%(HPLC)	576	2-8℃	in stock	-
Kehua Intelligence	100g	≥95%(HPLC)	1216	2-8℃	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 37 38 0 1 0 0 0 0 0999 V2000 -5.5577 -3.8412 0.0553 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -5.7916 1.2324 0.0023 F 0 0 0 0 0 0 0 0 0 0 0 0 2.4366 1.9432 -0.0677 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0484 1.4018 -0.0198 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7985 -0.7403 0.1310 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1550 0.5995 -1.6325 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8604 -0.9102 0.0047 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1879 0.9229 0.5714 C 0 0 2 0 0 0 0 0 0 0 0 0 1.0717 1.8081 -0.0561 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0027 1.5623 1.6822 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3789 1.7264 -1.2579 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3975 1.7547 1.1577 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6939 1.5347 -0.0317 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0091 1.5892 -1.2456 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9906 1.6175 1.1699 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0808 0.2608 -0.4584 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6549 0.1942 -0.0016 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0476 0.1199 0.0091 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6466 -1.1349 0.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7088 -1.4349 -0.7276 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8541 -2.2774 0.0336 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4784 -2.1125 0.0221 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4166 -2.4794 0.0133 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9983 -3.3369 0.6195 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5388 0.1373 0.9808 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3564 2.0945 2.3875 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5823 0.8191 2.2385 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7034 2.3006 1.2754 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9089 1.7681 -2.2052 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9292 1.8273 2.1016 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5505 1.5263 -2.1858 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5178 1.5788 2.1194 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7307 -1.2076 0.0354 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1485 -1.8846 -1.5555 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4309 -0.7197 -1.1381 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8052 -2.9645 0.0264 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5143 -4.0975 1.1573 H 0 0 0 0 0 0 0 0 0 0 0 0 1 21 1 0 0 0 0 2 18 1 0 0 0 0 3 8 1 0 0 0 0 3 9 1 0 0 0 0 4 13 1 0 0 0 0 4 17 1 0 0 0 0 5 16 1 0 0 0 0 5 20 1 0 0 0 0 6 16 2 0 0 0 0 7 17 1 0 0 0 0 7 22 2 0 0 0 0 8 10 1 0 0 0 0 8 16 1 0 0 0 0 8 25 1 0 0 0 0 9 11 2 0 0 0 0 9 12 1 0 0 0 0 10 26 1 0 0 0 0 10 27 1 0 0 0 0 10 28 1 0 0 0 0 11 14 1 0 0 0 0 11 29 1 0 0 0 0 12 15 2 0 0 0 0 12 30 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 14 31 1 0 0 0 0 15 32 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 19 21 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 20 35 1 0 0 0 0 21 22 1 0 0 0 0 22 36 1 0 0 0 0 23 24 3 0 0 0 0 24 37 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

prop-2-ynyl (2R)-2-[4-(5-chloro-3-fluoropyridin-2-yl)oxyphenoxy]propanoate

4.2 InChI

InChI=1S/C17H13ClFNO4/c1-3-8-22-17(21)11(2)23-13-4-6-14(7-5-13)24-16-15(19)9-12(18)10-20-16/h1,4-7,9-11H,8H2,2H3/t11-/m1/s1

4.3 InChIKey

JBDHZKLJNAIJNC-LLVKDONJSA-N

4.4 Canonical SMILES

CC(C(=O)OCC#C)OC1=CC=C(C=C1)OC2=C(C=C(C=N2)Cl)F

4.5 Isomeric SMILES

C[C@H](C(=O)OCC#C)OC1=CC=C(C=C1)OC2=C(C=C(C=N2)Cl)F

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)