| CAS Number | 1237535-77-1 |
| Catalog Number | AG00HHEO |
| Chemical Name | (4-fluoro-3-iodo-pyridin-2-yl)-carbamic acid tert-butyl ester |
| IUPAC Name | tert-butyl N-(4-fluoro-3-iodopyridin-2-yl)carbamate |
| InChI | InChI=1S/C10H12FIN2O2/c1-10(2,3)16-9(15)14-8-7(12)6(11)4-5-13-8/h4-5H,1-3H3,(H,13,14,15) |
| InChI Key | PUWIRYZSDQKVII-UHFFFAOYSA-N |
| MDL Number | MFCD21362362 |
| Molecular Formula | C10H12FIN2O2 |
| Molecular Weight | 338.1174 |
| SMILES | CC(OC(NC1=C(I)C(F)=CC=N1)=O)(C)C |
| Synonyms | 1237535-77-1,
(4-Fluoro-3-iodo-pyridin-2-yl)-carbamic acid tert-butyl ester,
tert-butyl (4-fluoro-3-iodopyridin-2-yl)carbamate,
tert-butyl N-(4-fluoro-3-iodopyridin-2-yl)carbamate,
SCHEMBL10197973,
PUWIRYZSDQKVII-UHFFFAOYSA-N,
MFCD21362362,
ZINC96032038,
AKOS027255328,
AS-39783,
tert-butyl(4-fluoro-3-iodopyridin-2-yl)carbamate,
Z2671044332,
|
| Complexity | 258 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 337.993g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 338.121g/mol |
| Monoisotopic Mass | 337.993g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 51.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number