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Ethene, 1-Chloro-1,2-Difluoro-
CAS: 359-04-6 | C2HClF2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
359-04-6
Molecular Formula:
C2HClF2
Molecular Weight:
98.47900000000001 g/mol
Names and Synonyms:
Ethene, 1-Chloro-1,2-Difluoro-
Ethene, 1-chloro-1,2-difluoro-
Ethylene, 1-chloro-1,2-difluoro-
1-Chloro-1,2-difluoroethylene
HCFC 1122a
F 1122a
1-Chloro-1,2-difluoroethene
HCFO 1122a
Identifiers:
SMILES:
FC=C(F)Cl
InChI:
InChI=1S/C2HClF2/c3-2(5)1-4/h1H
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 98.48 g/mol | Legacy Database |
| cas-boiling-point | -15 °C None | Legacy Database |
| cas-canonical-smile | FC=C(F)Cl None | Legacy Database |
| cas-inchi | InChI=1S/C2HClF2/c3-2(5)1-4/h1H None | Legacy Database |
| cas-inchi-key | InChIKey=CJENPNUXCMYXPT-UHFFFAOYSA-N None | Legacy Database |
| cas-name | Ethene, 1-chloro-1,2-difluoro- None | Legacy Database |
| LogP | 1.9631 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 98.47900000000001 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 97.973484152 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 5 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 0 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 0 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 0.0 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 16.152 | RDKit |
