| CAS Number | 2137643-34-4 |
| Catalog Number | AG01ELCT |
| Chemical Name | tert-butyl N-[2-(5-bromo-2-methylphenyl)ethyl]carbamate |
| IUPAC Name | tert-butyl N-[2-(5-bromo-2-methylphenyl)ethyl]carbamate |
| InChI | InChI=1S/C14H20BrNO2/c1-10-5-6-12(15)9-11(10)7-8-16-13(17)18-14(2,3)4/h5-6,9H,7-8H2,1-4H3,(H,16,17) |
| InChI Key | JJKCBPGIOOZDII-UHFFFAOYSA-N |
| MDL Number | MFCD31558713 |
| Molecular Formula | C14H20BrNO2 |
| Molecular Weight | 314.2181 |
| SMILES | CC1=C(CCNC(OC(C)(C)C)=O)C=C(Br)C=C1 |
| Synonyms | AKOS034099553,
tert-butyl N-[2-(5-bromo-2-methylphenyl)ethyl]carbamate,
2137643-34-4,
|
| Complexity | 276 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 313.068g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 314.223g/mol |
| Monoisotopic Mass | 313.068g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 38.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number