1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

bis(4-methoxyphenyl)iodanium;bromide

2.1.2 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

2.1.3 InChI Key

YDSNSDXMWRVLLI-UHFFFAOYSA-M

2.1.4 Canonical SMILES

COC1=CC=C(C=C1)[I+]C2=CC=C(C=C2)OC.[Br-]

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 19231-06-2

2. Bis(4-methoxyphenyl)iodonium Bromide

3. Di(p-anisyl)iodonium Bromide

4. Bis(4-methoxyphenyl)iodanium;bromide

5. Iodonium, Bis(4-methoxyphenyl)-, Bromide

6. Bis(4-methoxyphenyl)iodanium Bromide

7. Einecs 242-899-4

8. Iodonium, Bis(4-methoxyphenyl)-, Bromide (1:1)

9. Bis(p-anisyl)iodonium Bromide

10. Schembl8745388

11. Dtxsid80940894

12. Bis(4-methoxyphenyl)iodoniumbromide

13. Mfcd00031571

14. Akos024431193

15. S11873

16. As-10705

17. Db-100910

18. Iodonium,bis(4-methoxyphenyl)-,bromide(1:1)

19. Bis(4-methoxyphenyl)-iodonium Bromide (1:1)

20. A853768

2.3 Create Date

2005-08-08

3 Chemical and Physical Properties

Molecular Formula	C₁₄H₁₄BrIO₂
Molecular Weight	421.07 g/mol
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	419.92219 g/mol
Monoisotopic Mass	419.92219 g/mol
Topological Polar Surface Area	18.5 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	184
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2

CAS 19231-06-2