| CAS Number | 1864058-38-7 |
| Catalog Number | AG01AUNM |
| Chemical Name | tert-butyl N-{4-[1-(4-bromophenoxy)ethyl]phenyl}carbamate |
| IUPAC Name | tert-butyl N-[4-[1-(4-bromophenoxy)ethyl]phenyl]carbamate |
| InChI | InChI=1S/C19H22BrNO3/c1-13(23-17-11-7-15(20)8-12-17)14-5-9-16(10-6-14)21-18(22)24-19(2,3)4/h5-13H,1-4H3,(H,21,22) |
| InChI Key | VMZODJSVBNIWIK-UHFFFAOYSA-N |
| MDL Number | MFCD29041140 |
| Molecular Formula | C19H22BrNO3 |
| Molecular Weight | 392.2869 |
| SMILES | CC(C1=CC=C(NC(OC(C)(C)C)=O)C=C1)OC1=CC=C(Br)C=C1 |
| Synonyms | tert-butyl N-{4-[1-(4-bromophenoxy)ethyl]phenyl}carbamate,
1864058-38-7,
AKOS033816295,
Z2235790633,
|
| Complexity | 394 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 391.078g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 24 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 392.293g/mol |
| Monoisotopic Mass | 391.078g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 47.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5 |
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