| CAS Number | 1142192-37-7 |
| Catalog Number | AG009M2E(AGN-PC-0WBQS5) |
| Chemical Name | 2-Bromo-5-iodopyridin-3-yl tert-butyl carbonate |
| IUPAC Name | (2-bromo-5-iodopyridin-3-yl) tert-butyl carbonate |
| InChI | InChI=1S/C10H11BrINO3/c1-10(2,3)16-9(14)15-7-4-6(12)5-13-8(7)11/h4-5H,1-3H3 |
| InChI Key | WRKKGHFAKXJOJK-UHFFFAOYSA-N |
| MDL Number | MFCD12026757 |
| Molecular Formula | C10H11BrINO3 |
| Molecular Weight | 400.0077 |
| SMILES | O=C(Oc1cc(I)cnc1Br)OC(C)(C)C |
| Synonyms | 2-Bromo-5-iodopyridin-3-yl tert-butyl carbonate,
1142192-37-7,
AC1Q1NGL,
C10H11BrINO3,
CTK7G9438,
9205AC,
MFCD12026757,
ZINC35270529,
AKOS015840286,
TR-057735,
K-1032,
2-Bromo-5-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