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Iodoethene
CAS: 593-66-8 | C2H3I
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
593-66-8
Molecular Formula:
C2H3I
Molecular Weight:
153.95 g/mol
Names and Synonyms:
Iodoethene
Ethene, iodo-
Ethylene, iodo-
Iodoethene
Vinyl iodide
Iodoethylene
Identifiers:
SMILES:
C=CI
InChI:
InChI=1S/C2H3I/c1-2-3/h2H,1H2
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 |
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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
| Category | Property | Value | Source |
|---|---|---|---|
| Physical Properties | molecular_mass | 153.95 g/mol | Legacy Database |
| density | 2.04 g/cm³ | Legacy Database | |
| cas-boiling-point | 56 °C | Legacy Database | |
| cas-canonical-smile | IC=C | Legacy Database | |
| cas-density | 2.037 g/cm3 @ Temp: 20 °C | Legacy Database | |
| cas-inchi | InChI=1S/C2H3I/c1-2-3/h2H,1H2 | Legacy Database | |
| cas-inchi-key | InChIKey=GHXZPUGJZVBLGC-UHFFFAOYSA-N | Legacy Database | |
| cas-name | Iodoethene | Legacy Database | |
| LogP | 1.5649 | RDKit | |
| Molecular | Molecular Weight | 153.95 g/mol | RDKit |
| Exact | Exact Molecular Weight | 153.927948096 g/mol | RDKit |
| Heavy | Heavy Atom Count | 3 count | RDKit |
| Hydrogen | Hydrogen Bond Acceptors | 0 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit | |
| Rotatable | Rotatable Bonds | 0 count | RDKit |
| Aromatic | Aromatic Ring Count | 0 count | RDKit |
| Topological | Topological Polar Surface Area | 0.0 Ų | RDKit |
| Molar | Molar Refractivity | 24.216999999999995 | RDKit |
