CAS No.: 60207-31-0 — Azaconazole (氧环唑)

1. Primary Information

English name:	Azaconazole
CAS No.:	60207-31-0
Molecular formula:	C₁₂H₁₁Cl₂N₃O₂
Molecular weight:	300.14 g/mol
SMILES:	C1COC(O1)(CN2C=NC=N2)C3=C(C=C(C=C3)Cl)Cl
Structural class:
Other identifiers:	1-((2-(2,4-dichlorophenyl)-1,3-dioxolan-2-yl)methyl)-1H-1,2,4-triazole azaconazole R 28644

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	10ml	10.0ug/ml	528	2-8℃	in stock	-
Kehua Intelligence	100mg	analytical standard	664	2-8℃	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 30 32 0 0 0 0 0 0 0999 V2000 1.2552 2.5522 0.4176 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.7024 -0.4753 0.5868 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.6362 1.2329 -0.7927 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6752 -1.0703 -1.2142 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4469 -0.2302 0.8687 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1271 -1.3438 0.5954 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.4900 0.4876 0.7399 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2556 -0.0587 -0.2768 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0004 -0.2770 1.0399 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2477 -0.1314 -0.0532 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9607 1.0034 -2.1624 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5100 -0.3938 -2.1524 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9989 1.0024 0.2628 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8784 -1.3714 -0.1706 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3755 0.8964 0.4606 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2551 -1.4774 0.0272 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2476 0.8533 0.9546 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0037 -0.3435 0.3427 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3672 -0.8554 0.5259 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7521 0.4929 1.7806 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7690 -1.2555 1.4790 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0382 1.0722 -2.7490 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6742 1.7488 -2.5218 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5506 -0.4243 -1.8256 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4449 -0.8777 -3.1307 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3194 -2.2739 -0.4022 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9609 1.7798 0.7070 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7308 -2.4504 -0.0648 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8987 1.8540 1.1675 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2079 -1.4984 0.3121 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 2 18 1 0 0 0 0 3 8 1 0 0 0 0 3 11 1 0 0 0 0 4 8 1 0 0 0 0 4 12 1 0 0 0 0 5 6 1 0 0 0 0 5 9 1 0 0 0 0 5 17 1 0 0 0 0 6 19 2 0 0 0 0 7 17 2 0 0 0 0 7 19 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 9 20 1 0 0 0 0 9 21 1 0 0 0 0 10 13 2 0 0 0 0 10 14 1 0 0 0 0 11 12 1 0 0 0 0 11 22 1 0 0 0 0 11 23 1 0 0 0 0 12 24 1 0 0 0 0 12 25 1 0 0 0 0 13 15 1 0 0 0 0 14 16 2 0 0 0 0 14 26 1 0 0 0 0 15 18 2 0 0 0 0 15 27 1 0 0 0 0 16 18 1 0 0 0 0 16 28 1 0 0 0 0 17 29 1 0 0 0 0 19 30 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

1-[[2-(2,4-dichlorophenyl)-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole

4.2 InChI

InChI=1S/C12H11Cl2N3O2/c13-9-1-2-10(11(14)5-9)12(18-3-4-19-12)6-17-8-15-7-16-17/h1-2,5,7-8H,3-4,6H2

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)