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CAS: 25371-96-4 | C10H7F3N2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
25371-96-4
Molecular Formula:
C10H7F3N2
Molecular Mass:
212.17 g/mol
Names and Synonyms:
Trim
1H-Imidazole, 1-[2-(trifluoromethyl)phenyl]-
Imidazole, 1-(α,α,α-trifluoro-o-tolyl)-
1-[2-(Trifluoromethyl)phenyl]-1H-imidazole
1-(2-Trifluoromethylphenyl)imidazole
TRIM
Identifiers:
SMILES:
FC(F)(F)c1ccccc1-n1ccnc1
InChI:
InChI=1S/C10H7F3N2/c11-10(12,13)8-3-1-2-4-9(8)15-6-5-14-7-15/h1-7H
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 | 212.17 g/mol | CAS Common Chemistry |
| 212.174 g/mol | RDKit | |
| 212.056132884 g/mol | RDKit | |
| Canonical SMILES | FC(F)(F)C=1C=CC=CC1N2C=NC=C2 | CAS Common Chemistry |
| InChI | InChI=1S/C10H7F3N2/c11-10(12,13)8-3-1-2-4-9(8)15-6-5-14-7-15/h1-7H | CAS Common Chemistry |
| InChI Key | InChIKey=WZBWBNCQUTXYEL-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | TRIM | CAS Common Chemistry |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 17.82 Ų | RDKit |
| LogP | 2.8911000000000016 | RDKit |
| Molar Refractivity | 48.566000000000024 | RDKit |
