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Fenhexamid
CAS: 126833-17-8 | C14H17Cl2NO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
126833-17-8
Molecular Formula:
C14H17Cl2NO2
Molecular Mass:
302.20 g/mol
Names and Synonyms:
Fenhexamid
Cyclohexanecarboxamide, N-(2,3-dichloro-4-hydroxyphenyl)-1-methyl-
N-(2,3-Dichloro-4-hydroxyphenyl)-1-methylcyclohexanecarboxamide
KBR 2738
Fenhexamid
Elevate
Teldor
Decree
Identifiers:
SMILES:
CC1(C(O)=Nc2ccc(O)c(Cl)c2Cl)CCCCC1
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)
Key Properties
Melting Point
141 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 302.20 g/mol | CAS Common Chemistry |
| 302.20100000000014 g/mol | RDKit | |
| 301.06363414400005 g/mol | RDKit | |
| Canonical SMILES | O=C(NC1=CC=C(O)C(Cl)=C1Cl)C2(C)CCCCC2 | CAS Common Chemistry |
| 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) | CAS Common Chemistry |
| InChI Key | InChIKey=VDLGAVXLJYLFDH-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 141 °C | CAS Common Chemistry |
| Name | Fenhexamid | CAS Common Chemistry |
| Heavy Atom Count | 19 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 52.82000000000001 Ų | RDKit |
| LogP | 5.257400000000003 | RDKit |
| Molar Refractivity | 79.04260000000004 | RDKit |
