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Propisochlor
CAS: 86763-47-5 | C15H22ClNO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
86763-47-5
Molecular Formula:
C15H22ClNO2
Molecular Mass:
283.80 g/mol
Names and Synonyms:
Propisochlor
Acetamide, 2-chloro-N-(2-ethyl-6-methylphenyl)-N-[(1-methylethoxy)methyl]-
2-Chloro-N-(2-ethyl-6-methylphenyl)-N-[(1-methylethoxy)methyl]acetamide
Propisochlor
Proponit
Propizochlor
Proponit 720EC
Proponit 720SC
(±)-Propisochlor
2-Chloro-N-(2-ethyl-6-methylphenyl)-N-(isopropoxymethyl)acetamide
Identifiers:
SMILES:
CCc1cccc(C)c1N(COC(C)C)C(=O)CCl
InChI:
InChI=1S/C15H22ClNO2/c1-5-13-8-6-7-12(4)15(13)17(14(18)9-16)10-19-11(2)3/h6-8,11H,5,9-10H2,1-4H3
Key Properties
Boiling Point
>243 °C
CAS Common Chemistry
Melting Point
21.6 °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 | 283.80 g/mol | CAS Common Chemistry |
| 283.7989999999999 g/mol | RDKit | |
| 283.13390662399996 g/mol | RDKit | |
| Boiling Point | >243 °C | CAS Common Chemistry |
| Canonical SMILES | O=C(N(C=1C(=CC=CC1CC)C)COC(C)C)CCl | CAS Common Chemistry |
| InChI | InChI=1S/C15H22ClNO2/c1-5-13-8-6-7-12(4)15(13)17(14(18)9-16)10-19-11(2)3/h6-8,11H,5,9-10H2,1-4H3 | CAS Common Chemistry |
| InChI Key | InChIKey=KZNDFYDURHAESM-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 21.6 °C | CAS Common Chemistry |
| Name | Propisochlor | CAS Common Chemistry |
| Heavy Atom Count | 19 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 29.54 Ų | RDKit |
| LogP | 3.511720000000002 | RDKit |
| Molar Refractivity | 79.85100000000004 | RDKit |
