Back to Search
Molecule
Iodonium, Bis(4-Methoxyphenyl)-, Bromide (1:1)
CAS: 19231-06-2 · C14H14BrIO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 19231-06-2
- Molecular Formula
- C14H14BrIO2
- Molecular Mass
- 421.07 g/mol
Identifiers
CAS Registry Number
19231-06-2
SMILES
COc1ccc([I+]c2ccc(OC)cc2)cc1.[Br-]
InChI Key
YDSNSDXMWRVLLI-UHFFFAOYSA-M
InChI
InChI=1S/C14H14IO2.BrH/c1-16-13-7-3-11(4-8-13)15-12-5-9-14(17-2)10-6-12;/h3-10H,1-2H3;1H/q+1;/p-1
Names and Synonyms
- Iodonium, Bis(4-Methoxyphenyl)-, Bromide (1:1) Systematic Name
- Iodonium, bis(4-methoxyphenyl)-, bromide (1:1) Synonym
- Iodonium, bis(p-methoxyphenyl)-, bromide Synonym
- Iodonium, bis(4-methoxyphenyl)-, bromide Synonym
- p,p′-Dimethoxydiphenyliodonium bromide Synonym
- Di(p-Anisyl)iodonium bromide Synonym
- Bis(p-anisyl)iodonium bromide Synonym
- Bis(4-methoxyphenyl)iodonium bromide Synonym
- NSC 141350 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 421.07 g/mol | CAS Common Chemistry |
| 421.07200000000006 g/mol | RDKit | |
| 421.072 g/mol | RDKit | |
| Canonical SMILES | [Br-].O(C1=CC=C([I+]C2=CC=C(OC)C=C2)C=C1)C | CAS Common Chemistry |
| InChI | InChI=1S/C14H14IO2.BrH/c1-16-13-7-3-11(4-8-13)15-12-5-9-14(17-2)10-6-12;/h3-10H,1-2H3;1H/q+1;/p-1 | CAS Common Chemistry |
| InChI Key | InChIKey=YDSNSDXMWRVLLI-UHFFFAOYSA-M | CAS Common Chemistry |
| Melting Point | 190-192 °C | CAS Common Chemistry |
| Name | Iodonium, bis(4-methoxyphenyl)-, bromide (1:1) | CAS Common Chemistry |
| Heavy Atom Count | 18 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 18.46 Ų | RDKit |
| LogP | -3.1637999999999966 | RDKit |
| -3.1638 | RDKit | |
| Molar Refractivity | 63.38200000000004 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.1429 | RDKit |
| 0.14 | chempirical lib | |
| Exact Mass | 419.92218978799997 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
Convert
Quick conversion
MW = 421.07 g/mol. Edit any field — others recompute live.
