| CAS Number | 889858-08-6 |
| Catalog Number | AG01A70A(AGN-PC-0FETZZ) |
| Chemical Name | Tert-butyl 5-bromo-2-fluorobenzoate |
| IUPAC Name | tert-butyl 5-bromo-2-fluorobenzoate |
| InChI | InChI=1S/C11H12BrFO2/c1-11(2,3)15-10(14)8-6-7(12)4-5-9(8)13/h4-6H,1-3H3 |
| InChI Key | RGUSYURXTLDCDB-UHFFFAOYSA-N |
| MDL Number | MFCD19026473 |
| Molecular Formula | C11H12BrFO2 |
| Molecular Weight | 275.1142 |
| SMILES | CC(OC(C1=C(F)C=CC(Br)=C1)=O)(C)C |
| Synonyms | tert-butyl 5-bromo-2-fluorobenzoate,
889858-08-6,
SCHEMBL1185728,
RGUSYURXTLDCDB-UHFFFAOYSA-N,
ZINC68813124,
AKOS013211037,
NE48980,
A1-11867,
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 | 274g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 275.117g/mol |
| Monoisotopic Mass | 274g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number