| CAS Number | 876346-94-0 |
| Catalog Number | AG01AMYA(AGN-PC-0BVYQ3) |
| Chemical Name | tert-butyl N-(4-iodo-2-methoxyphenyl)carbamate |
| IUPAC Name | tert-butyl N-(4-iodo-2-methoxyphenyl)carbamate |
| InChI | InChI=1S/C12H16INO3/c1-12(2,3)17-11(15)14-9-6-5-8(13)7-10(9)16-4/h5-7H,1-4H3,(H,14,15) |
| InChI Key | UEMZDSPHGUAIEF-UHFFFAOYSA-N |
| MDL Number | MFCD29034071 |
| Molecular Formula | C12H16INO3 |
| Molecular Weight | 349.1648 |
| SMILES | COC1=C(NC(OC(C)(C)C)=O)C=CC(I)=C1 |
| Synonyms | tert-butyl N-(4-iodo-2-methoxyphenyl)carbamate,
876346-94-0,
SCHEMBL12715632,
ZINC149397440,
|
| Complexity | 265 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 349.017g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 349.168g/mol |
| Monoisotopic Mass | 349.017g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 47.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
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