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Foramsulfuron
CAS: 173159-57-4 | C17H20N6O7S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
173159-57-4
Molecular Formula:
C17H20N6O7S
Molecular Mass:
452.45 g/mol
Names and Synonyms:
Foramsulfuron
Benzamide, 2-[[[[(4,6-dimethoxy-2-pyrimidinyl)amino]carbonyl]amino]sulfonyl]-4-(formylamino)-N,N-dimethyl-
2-[[[[(4,6-Dimethoxy-2-pyrimidinyl)amino]carbonyl]amino]sulfonyl]-4-(formylamino)-N,N-dimethylbenzamide
Foramsulfuron
N,N-Dimethyl-2-[[N-[[N-(4,6-dimethoxypyrimidin-2-yl)amino]carbonyl]amino]sulfonyl]-4-formamidobenzamide
Option 35WDG
Option
Equip
AEF 360
Tribute
Tribute (foramsulfuron herbicide)
Revolver
Revolver herbicide
Identifiers:
SMILES:
COc1cc(OC)nc(N=C(O)NS(=O)(=O)c2cc(N=CO)ccc2C(=O)N(C)C)n1
InChI:
InChI=1S/C17H20N6O7S/c1-23(2)15(25)11-6-5-10(18-9-24)7-12(11)31(27,28)22-17(26)21-16-19-13(29-3)8-14(20-16)30-4/h5-9H,1-4H3,(H,18,24)(H2,19,20,21,22,26)
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 | 452.45 g/mol | CAS Common Chemistry |
| 452.4490000000002 g/mol | RDKit | |
| 452.11141798 g/mol | RDKit | |
| Canonical SMILES | O=CNC1=CC=C(C(=O)N(C)C)C(=C1)S(=O)(=O)NC(=O)NC2=NC(OC)=CC(=N2)OC | CAS Common Chemistry |
| InChI | InChI=1S/C17H20N6O7S/c1-23(2)15(25)11-6-5-10(18-9-24)7-12(11)31(27,28)22-17(26)21-16-19-13(29-3)8-14(20-16)30-4/h5-9H,1-4H3,(H,18,24)(H2,19,20,21,22,26) | CAS Common Chemistry |
| InChI Key | InChIKey=PXDNXJSDGQBLKS-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Foramsulfuron | CAS Common Chemistry |
| Heavy Atom Count | 31 | RDKit |
| Hydrogen Bond Acceptors | 9 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 7 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 175.89999999999998 Ų | RDKit |
| LogP | 0.9373999999999998 | RDKit |
| Molar Refractivity | 110.42160000000005 | RDKit |
