CAS No.: 126833-17-8 — Fenhexamid (环酰菌胺)

1. Primary Information

English name:	Fenhexamid
CAS No.:	126833-17-8
Molecular formula:	C₁₄H₁₇Cl₂NO₂
Molecular weight:	302.2 g/mol
SMILES:	CC1(CCCCC1)C(=O)NC2=C(C(=C(C=C2)O)Cl)Cl
Structural class:
Other identifiers:	fenhexamid KBR 2738 KBR-2738 KBR2738 N-(2,3-dichloro-4-hydroxyphenyl)-1-methylcyclohexanecarboxamide

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	1.2ml	1000μg/ml in methanol	464	2-8℃	in stock	-
Kehua Intelligence	1.2ml	1000μg/ml in acetonitrile	464	2-8℃	in stock	-
Kehua Intelligence	1.2ml	100μg/ml in acetonitrile	152	2-8℃	in stock	-
Kehua Intelligence	100mg	98%	1760	2-8℃	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 36 37 0 0 0 0 0 0 0999 V2000 1.7892 2.6099 0.0486 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.7791 1.5555 0.4220 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.3811 -1.6110 -0.6091 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9967 -1.3945 0.3069 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2107 0.4132 -0.3463 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5781 0.4484 -0.6821 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7969 -0.4679 -0.8964 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7570 1.3270 0.5697 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1770 -1.2573 0.3570 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1448 0.5232 1.8115 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3731 -0.3439 1.5613 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3684 1.3352 -1.9167 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3285 -0.3871 -0.5448 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1298 -0.0069 -0.1756 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1516 0.9104 0.0155 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3854 -1.3700 -0.2071 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4598 0.4548 0.1792 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6933 -1.8257 -0.0434 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7306 -0.9133 0.1498 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6258 -1.1665 -1.7253 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6615 0.1436 -1.1881 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5622 2.0495 0.3749 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8782 1.9350 0.8077 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4253 -2.0166 0.5944 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1088 -1.8030 0.1655 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3470 1.2098 2.6417 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3045 -0.1091 2.1225 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2462 0.2989 1.3944 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5873 -0.9466 2.4509 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0690 0.7413 -2.7887 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2964 1.8569 -2.1794 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6100 2.1117 -1.7707 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3206 1.4226 -0.3252 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6507 -2.1467 -0.3509 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8986 -2.8927 -0.0673 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5967 -0.6388 0.4301 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 2 17 1 0 0 0 0 3 13 2 0 0 0 0 4 19 1 0 0 0 0 4 36 1 0 0 0 0 5 13 1 0 0 0 0 5 14 1 0 0 0 0 5 33 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 12 1 0 0 0 0 6 13 1 0 0 0 0 7 9 1 0 0 0 0 7 20 1 0 0 0 0 7 21 1 0 0 0 0 8 10 1 0 0 0 0 8 22 1 0 0 0 0 8 23 1 0 0 0 0 9 11 1 0 0 0 0 9 24 1 0 0 0 0 9 25 1 0 0 0 0 10 11 1 0 0 0 0 10 26 1 0 0 0 0 10 27 1 0 0 0 0 11 28 1 0 0 0 0 11 29 1 0 0 0 0 12 30 1 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 15 17 1 0 0 0 0 16 18 2 0 0 0 0 16 34 1 0 0 0 0 17 19 2 0 0 0 0 18 19 1 0 0 0 0 18 35 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

N-(2,3-dichloro-4-hydroxyphenyl)-1-methylcyclohexane-1-carboxamide

4.2 InChI

InChI=1S/C14H17Cl2NO2/c1-14(7-3-2-4-8-14)13(19)17-9-5-6-10(18)12(16)11(9)15/h5-6,18H,2-4,7-8H2,1H3,(H,17,19)

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)