| CAS Number | 1087659-26-4 |
| Catalog Number | AG0094GO(AGN-PC-0WANXM) |
| Chemical Name | 2-Bromo-6-iodopyridin-3-yl tert-butyl carbonate |
| IUPAC Name | (2-bromo-6-iodopyridin-3-yl) tert-butyl carbonate |
| InChI | InChI=1S/C10H11BrINO3/c1-10(2,3)16-9(14)15-6-4-5-7(12)13-8(6)11/h4-5H,1-3H3 |
| InChI Key | NTCCNGUKLGPNQT-UHFFFAOYSA-N |
| MDL Number | MFCD11857635 |
| Molecular Formula | C10H11BrINO3 |
| Molecular Weight | 400.0077 |
| SMILES | O=C(Oc1ccc(nc1Br)I)OC(C)(C)C |
| Synonyms | 2-Bromo-6-iodopyridin-3-yl tert-butyl carbonate,
1087659-26-4,
AC1Q1NGO,
CTK7G9505,
DTXSID60670142,
MFCD11857635,
ZINC35270365,
AKOS015840272,
RTR-057491,
AJ-91123,
TR-057491,
A-5932,
2-Bromo-6-iodopyridin-3-yl tert-butyl carbonate, AldrichCPR,
|
| Complexity | 257 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 398.897g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 400.01g/mol |
| Monoisotopic Mass | 398.897g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 48.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number