| CAS Number | 123088-07-3 |
| Catalog Number | AG01B2FM(AGN-PC-0017HL) |
| Chemical Name | Tert-butyl 2-(2-bromophenyl)acetate |
| IUPAC Name | tert-butyl 2-(2-bromophenyl)acetate |
| InChI | InChI=1S/C12H15BrO2/c1-12(2,3)15-11(14)8-9-6-4-5-7-10(9)13/h4-7H,8H2,1-3H3 |
| InChI Key | VKDZRXIUBHUXLJ-UHFFFAOYSA-N |
| MDL Number | MFCD11976801 |
| Molecular Formula | C12H15BrO2 |
| Molecular Weight | 271.1503 |
| SMILES | CC(OC(CC1=C(Br)C=CC=C1)=O)(C)C |
| Synonyms | TERT-BUTYL 2-(2-BROMOPHENYL)ACETATE,
123088-07-3,
SCHEMBL7170439,
VKDZRXIUBHUXLJ-UHFFFAOYSA-N,
ZINC34284780,
1,1-Dimethylethyl 2-bromobenzeneacetate,
SC-32124,
(2-bromo-phenyl)-acetic acid tert-butyl ester,
|
| Complexity | 220 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 270.026g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 271.154g/mol |
| Monoisotopic Mass | 270.026g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number