| CAS Number | 49855-41-6 |
| Catalog Number | AG01DWG8(AGN-PC-0JSNP2) |
| Chemical Name | tert-Butyl 2,3-dibromopropanoate |
| IUPAC Name | tert-butyl 2,3-dibromopropanoate |
| InChI | InChI=1S/C7H12Br2O2/c1-7(2,3)11-6(10)5(9)4-8/h5H,4H2,1-3H3 |
| InChI Key | PFUYTJUZEPQIIF-UHFFFAOYSA-N |
| MDL Number | MFCD31664932 |
| Molecular Formula | C7H12Br2O2 |
| Molecular Weight | 287.977 |
| SMILES | CC(OC(C(CBr)Br)=O)(C)C |
| Synonyms | tert-Butyl 2,3-dibromopropanoate,
PFUYTJUZEPQIIF-UHFFFAOYSA-N,
49855-41-6,
AC1LBZS0,
t-butyl 2,3-dibromopropionate,
SCHEMBL6337940,
Propanoic acid, 2,3-dibromo-, 1,1-dimethylethyl ester,
tert-Butyl 2,3-dibromopropanoate #,
2,3-Dibromopropanoic acid tert-butyl ester,
CID545325,
|
| Complexity | 140 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 287.918g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 287.979g/mol |
| Monoisotopic Mass | 285.92g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number