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Molecule
Alias 2F
CAS: 138261-41-3 · C9H10ClN5O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 138261-41-3
- Molecular Formula
- C9H10ClN5O2
- Molecular Mass
- 255.67 g/mol
Identifiers
CAS Registry Number
138261-41-3
SMILES
O=[N+]([O-])NC1=NCCN1Cc1ccc(Cl)nc1
InChI Key
YWTYJOPNNQFBPC-UHFFFAOYSA-N
InChI
InChI=1S/C9H10ClN5O2/c10-8-2-1-7(5-12-8)6-14-4-3-11-9(14)13-15(16)17/h1-2,5H,3-4,6H2,(H,11,13)
Names and Synonyms
- Alias 2F Synonym
- AEF 106464 Synonym
- Couraze Synonym
- Imidacloprid Synonym
- (2E)-1-[(6-Chloro-3-pyridinyl)methyl]-N-nitro-2-imidazolidinimine Synonym
- 2-Imidazolidinimine, 1-[(6-chloro-3-pyridinyl)methyl]-N-nitro-, (2E)- Synonym
- BAY-NTN 33893 Synonym
- Merit Synonym
- Imidacloprid Synonym
- NTN 33893 Synonym
- 1-[(6-Chloro-3-pyridinyl)methyl]-N-nitro-2-imidazolidinimine Synonym
- Gaucho Synonym
- Confidor 200SL Synonym
- Confidor Synonym
- Admire Synonym
- Provado Synonym
- Merit (insecticide) Synonym
- Confidor SL Synonym
- CP 1 Synonym
- NTN 33893-240FS Synonym
- Advantage Flea Adulticide Synonym
- 1-[(6-Chloro-3-pyridinyl)methyl]-4,5-dihydro-N-nitro-1H-imidazol-2-amine Synonym
- Premise Synonym
- Meritgreen Synonym
- Hachikusan Synonym
- 1-(2-Chloro-5-pyridylmethyl)-2-(N-nitroimino)imidazolidine Synonym
- Baimieshi Synonym
- Prescribe Synonym
- Trimax Synonym
- Trimax (pesticide) Synonym
- Pro-Agro Synonym
- Imicide Synonym
- Admire 2F Synonym
- Premis Synonym
- Premise (insecticide) Synonym
- Gaucho Grande Synonym
- Genesis Synonym
- Marathon II Synonym
- Preventol TM Synonym
- Grubex Synonym
- Bayer Advanced Season-Long Grub control Synonym
- AGST 03001 Synonym
- Genesis (pesticide) Synonym
- Rinfidor Synonym
- Comodor Synonym
- Admire Pro Synonym
- Quick-Bayt Synonym
- Marathon Synonym
- Marathon (insecticide) Synonym
- Trimax Pro Synonym
- NUP 06024 Synonym
- Nuprid Synonym
- NUP 06023 Synonym
- Mallet 2F Synonym
- Pasada Synonym
- Confidate Synonym
- Alias Synonym
- NUQ 05054 Synonym
- Widow Synonym
- Macho Max Synonym
- Torrent Synonym
- Advise Synonym
- CoreTect Synonym
- 1-(6-Chloro-3-pyridylmethyl)-N-nitroimidazolidin-2-ylideneamine Synonym
- AE-F 106464-00GR01B0 Synonym
- Couraze Max Synonym
- Senator Synonym
- Confidor 240 O-TEQ Synonym
- Confidor 200 O-TEQ Synonym
- Timbertreat N 98 Synonym
- Senator (neonicotinoid) Synonym
- Jade Synonym
- Gaucho 600FS Synonym
- Kohinor Synonym
- Confidor 70WG Synonym
- Biunik 200SL Synonym
- Provado 2F Synonym
- Tanrec Synonym
- Lada Synonym
- Lada (insecticide) Synonym
- Kumiai Admire Synonym
- Enforce (pesticide) Synonym
- Enforce Synonym
- Yashijing Synonym
- Confidor 100SL Synonym
- Confidor 350SC Synonym
- Acceleron IX 409 Synonym
- Merit 2F Synonym
- Biotlin Synonym
- Merit 75WP Synonym
- 1-[(6-Chloro-3-pyridyl)methyl]-N-nitro-2-imidazolidineimine Synonym
- Imidamex Synonym
- Imida Nova 60 Synonym
- TM 0314 Synonym
- Suscon Maxi Synonym
- Senator WG Synonym
- IX 104 Synonym
- Confidence 555 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 255.67 g/mol | CAS Common Chemistry |
| 255.66500000000002 g/mol | RDKit | |
| 255.665 g/mol | RDKit | |
| 255.662 g/mol | chempirical lib | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Imidacloprid | CAS Common Chemistry |
| Canonical SMILES | O=N(=O)N=C1NCCN1CC2=CN=C(Cl)C=C2 | CAS Common Chemistry |
| InChI | InChI=1S/C9H10ClN5O2/c10-8-2-1-7(5-12-8)6-14-4-3-11-9(14)13-15(16)17/h1-2,5H,3-4,6H2,(H,11,13) | CAS Common Chemistry |
| InChI Key | InChIKey=YWTYJOPNNQFBPC-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 144 °C | CAS Common Chemistry |
| Name | Imidacloprid | CAS Common Chemistry |
| Heavy Atom Count | 17 | RDKit |
| Hydrogen Bond Acceptors | 5 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 83.66 Ų | RDKit |
| 78.06 Ų | chempirical lib | |
| LogP | 0.6879 | RDKit |
| Molar Refractivity | 62.089100000000016 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.3333 | RDKit |
| 0.33 | chempirical lib | |
| Exact Mass | 255.05230224 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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MW = 255.67 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C9H10ClN5O2.