| CAS Number | 1909336-30-6 |
| Catalog Number | AG01C1XZ |
| Chemical Name | tert-butyl N-[3-bromo-2-(4-methoxyphenyl)propyl]carbamate |
| IUPAC Name | tert-butyl N-[3-bromo-2-(4-methoxyphenyl)propyl]carbamate |
| InChI | InChI=1S/C15H22BrNO3/c1-15(2,3)20-14(18)17-10-12(9-16)11-5-7-13(19-4)8-6-11/h5-8,12H,9-10H2,1-4H3,(H,17,18) |
| InChI Key | XUNUOHKHWIWMBU-UHFFFAOYSA-N |
| MDL Number | MFCD29060286 |
| Molecular Formula | C15H22BrNO3 |
| Molecular Weight | 344.2441 |
| SMILES | COC1=CC=C(C(CNC(OC(C)(C)C)=O)CBr)C=C1 |
| Synonyms | 1909336-30-6,
tert-butyl N-[3-bromo-2-(4-methoxyphenyl)propyl]carbamate,
|
| Complexity | 296 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 343.078g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 344.249g/mol |
| Monoisotopic Mass | 343.078g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 47.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
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