| CAS Number | 288295-83-0 |
| Catalog Number | AG00I5DP(AGN-PC-0WRAFT) |
| Chemical Name | 3-Bromo-N-tert-butoxycarbonyl-N-ethylaniline |
| IUPAC Name | tert-butyl N-(3-bromophenyl)-N-ethylcarbamate |
| InChI | InChI=1S/C13H18BrNO2/c1-5-15(12(16)17-13(2,3)4)11-8-6-7-10(14)9-11/h6-9H,5H2,1-4H3 |
| InChI Key | APOIFUDCOFYIIX-UHFFFAOYSA-N |
| MDL Number | MFCD26394147 |
| Molecular Formula | C13H18BrNO2 |
| Molecular Weight | 300.1915 |
| SMILES | CCN(C1=CC(Br)=CC=C1)C(OC(C)(C)C)=O |
| Synonyms | 3-Bromo-N-tert-butoxycarbonyl-N-ethylaniline,
288295-83-0,
SCHEMBL1600710,
APOIFUDCOFYIIX-UHFFFAOYSA-N,
ZINC116633139,
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| Complexity | 263 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 299.052g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 300.196g/mol |
| Monoisotopic Mass | 299.052g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 29.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
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Certificate of Analysis
Lot Number