| CAS Number | 30452-00-7 |
| Catalog Number | AG01DWBI(AGN-PC-02GTRP) |
| Chemical Name | Methyl 3-bromo-2,2-dimethylpropanoate |
| IUPAC Name | methyl 3-bromo-2,2-dimethylpropanoate |
| InChI | InChI=1S/C6H11BrO2/c1-6(2,4-7)5(8)9-3/h4H2,1-3H3 |
| InChI Key | AMHWPZMEUOZYNT-UHFFFAOYSA-N |
| MDL Number | MFCD20621611 |
| Molecular Formula | C6H11BrO2 |
| Molecular Weight | 195.0543 |
| SMILES | BrCC(C(=O)OC)(C)C |
| Synonyms | methyl 3-bromo-2,2-dimethylpropanoate,
30452-00-7,
SCHEMBL116575,
Propanoic acid, 3-bromo-2,2-dimethyl-, methyl ester,
AMHWPZMEUOZYNT-UHFFFAOYSA-N,
3-bromo-2,2-dimethylpropionic acid methyl ester,
3-bromo-2,2-dimethyl-propionic acid methyl ester,
|
| Complexity | 110 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 193.994g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 195.056g/mol |
| Monoisotopic Mass | 193.994g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number