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Flurochloridone
CAS: 61213-25-0 | C12H10Cl2F3NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
61213-25-0
Molecular Formula:
C12H10Cl2F3NO
Molecular Mass:
312.12 g/mol
Names and Synonyms:
Flurochloridone
2-Pyrrolidinone, 3-chloro-4-(chloromethyl)-1-[3-(trifluoromethyl)phenyl]-
3-Chloro-4-(chloromethyl)-1-[3-(trifluoromethyl)phenyl]-2-pyrrolidinone
R 40244
Racer
Fluorochloridone
Racer 25
Flurochloridone
Rainbow
Twin Gold Pack
Racer 250 EC
Identifiers:
SMILES:
O=C1C(Cl)C(CCl)CN1c1cccc(C(F)(F)F)c1
InChI:
InChI=1S/C12H10Cl2F3NO/c13-5-7-6-18(11(19)10(7)14)9-3-1-2-8(4-9)12(15,16)17/h1-4,7,10H,5-6H2
Key Properties
Boiling Point
212.5 °C
CAS Common Chemistry
Melting Point
55.6-79.7 °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 | 312.12 g/mol | CAS Common Chemistry |
| 312.118 g/mol | RDKit | |
| 311.00915396 g/mol | RDKit | |
| Boiling Point | 212.5 °C | CAS Common Chemistry |
| Canonical SMILES | O=C1N(C2=CC=CC(=C2)C(F)(F)F)CC(CCl)C1Cl | CAS Common Chemistry |
| InChI | InChI=1S/C12H10Cl2F3NO/c13-5-7-6-18(11(19)10(7)14)9-3-1-2-8(4-9)12(15,16)17/h1-4,7,10H,5-6H2 | CAS Common Chemistry |
| InChI Key | InChIKey=OQZCSNDVOWYALR-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 55.6-79.7 °C | CAS Common Chemistry |
| Name | Flurochloridone | CAS Common Chemistry |
| Heavy Atom Count | 19 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 20.310000000000002 Ų | RDKit |
| LogP | 3.514400000000002 | RDKit |
| Molar Refractivity | 67.64800000000002 | RDKit |
