| CAS Number | 1045858-08-9 |
| Catalog Number | AG008SD8(AGN-PC-0WANWZ) |
| Chemical Name | tert-Butyl 4-iodo-5-methoxypyridin-3-ylcarbamate |
| IUPAC Name | tert-butyl N-(4-iodo-5-methoxypyridin-3-yl)carbamate |
| InChI | InChI=1S/C11H15IN2O3/c1-11(2,3)17-10(15)14-7-5-13-6-8(16-4)9(7)12/h5-6H,1-4H3,(H,14,15) |
| InChI Key | DJFBRDYLSZPUPP-UHFFFAOYSA-N |
| MDL Number | MFCD11052837 |
| Molecular Formula | C11H15IN2O3 |
| Molecular Weight | 350.1529 |
| SMILES | COc1cncc(c1I)NC(=O)OC(C)(C)C |
| Synonyms | tert-Butyl 4-iodo-5-methoxypyridin-3-ylcarbamate,
1045858-08-9,
tert-Butyl (4-iodo-5-methoxypyridin-3-yl)carbamate,
tert-butyl N-(4-iodo-5-methoxypyridin-3-yl)carbamate,
AC1Q4F77,
CTK7B1909,
DTXSID90670115,
8006AC,
MFCD11052837,
ZINC35270286,
AKOS015853976,
RTR-057452,
AJ-91105,
DB-029360,
TR-057452,
FT-0737927,
A-5894,
tert-Butyl 4-iodo-5-methoxypyridin-3-ylcarbamate, AldrichCPR,
C11H15IN2O3,
|
| Complexity | 268 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 350.013g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 350.156g/mol |
| Monoisotopic Mass | 350.013g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 60.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
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Hazard statements
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H302
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Precautionary statements
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Certificate of Analysis
Lot Number