| CAS Number | 1249648-03-0 |
| Catalog Number | AG01A700 |
| Chemical Name | tert-butyl 3-amino-4-bromobenzoate |
| IUPAC Name | tert-butyl 3-amino-4-bromobenzoate |
| InChI | InChI=1S/C11H14BrNO2/c1-11(2,3)15-10(14)7-4-5-8(12)9(13)6-7/h4-6H,13H2,1-3H3 |
| InChI Key | KPQQLTNLUIDWIF-UHFFFAOYSA-N |
| MDL Number | MFCD14622193 |
| Molecular Formula | C11H14BrNO2 |
| Molecular Weight | 272.1384 |
| SMILES | CC(OC(C1=CC(N)=C(Br)C=C1)=O)(C)C |
| Synonyms | tert-butyl 3-amino-4-bromobenzoate,
1249648-03-0,
ZINC41046621,
AKOS010562128,
NE17763,
N/A,
|
| Complexity | 237 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 271.021g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 272.142g/mol |
| Monoisotopic Mass | 271.021g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 52.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number