| CAS Number | 1868173-47-0 |
| Catalog Number | AG00IMEC(AGN-PC-0WQUL0) |
| Chemical Name | 4-Biphenylyl(2,4,6-Trimethoxyphenyl)Iodonium Trifluoromethanesulfonate |
| IUPAC Name | (4-phenylphenyl)-(2,4,6-trimethoxyphenyl)iodanium;trifluoromethanesulfonate |
| InChI | InChI=1S/C21H20IO3.CHF3O3S/c1-23-18-13-19(24-2)21(20(14-18)25-3)22-17-11-9-16(10-12-17)15-7-5-4-6-8-15;2-1(3,4)8(5,6)7/h4-14H,1-3H3;(H,5,6,7)/q+1;/p-1 |
| InChI Key | KAXRDEKSXOLWQN-UHFFFAOYSA-M |
| MDL Number | MFCD31618107 |
| Molecular Formula | C22H20F3IO6S |
| Molecular Weight | 596.3553 |
| SMILES | [O-]S(=O)(=O)C(F)(F)F.COC1=CC(OC)=C([I+]C2=CC=C(C=C2)C2=CC=CC=C2)C(OC)=C1 |
| Synonyms | 4-Biphenylyl(2,4,6-trimethoxyphenyl)iodonium Trifluoromethanesulfonate,
1868173-47-0,
B5573,
4-Biphenylyl(2,4,6-trimethoxyphenyl)iodonium Triflate,
[1,1'-Biphenyl]-4-yl(2,4,6-trimethoxyphenyl)iodonium Trifluoromethanesulfonate,
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| Complexity | 508 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 595.99774g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 33 |
| Hydrogen Bond Acceptor Count | 9 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 596.4g/mol |
| Monoisotopic Mass | 595.99774g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 93.3Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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