| CAS Number | 1431509-30-6 |
| Catalog Number | AG01FL71(AGN-PC-3H4B25) |
| Chemical Name | 2-(2-Bromo-2-Methylpropionyloxy)-2-Methylpropionic Acid |
| IUPAC Name | 2-(2-bromo-2-methylpropanoyl)oxy-2-methylpropanoic acid |
| InChI | InChI=1S/C8H13BrO4/c1-7(2,9)6(12)13-8(3,4)5(10)11/h1-4H3,(H,10,11) |
| InChI Key | HINBZZBSDKUDPC-UHFFFAOYSA-N |
| MDL Number | MFCD32206345 |
| Molecular Formula | C8H13BrO4 |
| Molecular Weight | 253.0904 |
| SMILES | O=C(C(Br)(C)C)OC(C(=O)O)(C)C |
| Synonyms | SCHEMBL14879747,
2-(2-Bromo-2-methylpropionyloxy)-2-methylpropionic acid,
1431509-30-6,
|
| Complexity | 232 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 252g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 253.092g/mol |
| Monoisotopic Mass | 252g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 63.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number