| CAS Number | 2843-18-7 |
| Catalog Number | AG01A197(AGN-PC-0NISW7) |
| Chemical Name | Ethyl 3-Bromo-2,2-Dimethylpropanoate |
| IUPAC Name | ethyl 3-bromo-2,2-dimethylpropanoate |
| InChI | InChI=1S/C7H13BrO2/c1-4-10-6(9)7(2,3)5-8/h4-5H2,1-3H3 |
| InChI Key | OKSCUZSVZULTMP-UHFFFAOYSA-N |
| MDL Number | MFCD24448073 |
| Molecular Formula | C7H13BrO2 |
| Molecular Weight | 209.0809 |
| SMILES | CCOC(=O)C(C)(C)CBr |
| Synonyms | Ethyl 3-bromo-2,2-dimethylpropanoate,
2843-18-7,
3-bromo-2,2-dimethylpropionic acid ethyl ester,
SCHEMBL399728,
OKSCUZSVZULTMP-UHFFFAOYSA-N,
ZINC113741216,
Propanoic acid, 3-bromo-2,2-dimethyl-, ethyl ester,
|
| Complexity | 121 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 208.01g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 209.083g/mol |
| Monoisotopic Mass | 208.01g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
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Certificate of Analysis
Lot Number