| CAS Number | 1309885-34-4 |
| Catalog Number | AG000V7C(AGN-PC-0WADUJ) |
| Chemical Name | Methyl 3-bromo-3-methylbutanoate |
| IUPAC Name | methyl 3-bromo-3-methylbutanoate |
| InChI | InChI=1S/C6H11BrO2/c1-6(2,7)4-5(8)9-3/h4H2,1-3H3 |
| InChI Key | FUIQPTITTIPCSU-UHFFFAOYSA-N |
| MDL Number | MFCD28145736 |
| Molecular Formula | C6H11BrO2 |
| Molecular Weight | 195.0543 |
| SMILES | COC(CC(Br)(C)C)=O |
| Synonyms | methyl 3-bromo-3-methylbutanoate,
1309885-34-4,
SCHEMBL12900985,
MFCD28145736,
AKOS024257980,
ZINC211608908,
TRA0059346,
Butanoic acid, 3-bromo-3-methyl-, methyl ester,
Methyl3-broMo-3-Methylbutanoate,
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| 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 | 1.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number