| CAS Number | 16495-40-2 |
| Catalog Number | AG001V6P(AGN-PC-3H452I) |
| Chemical Name | Methyl 2-bromo-3,3-dimethylbutanoate |
| IUPAC Name | methyl 2-bromo-3,3-dimethylbutanoate |
| InChI | InChI=1S/C7H13BrO2/c1-7(2,3)5(8)6(9)10-4/h5H,1-4H3 |
| InChI Key | OLCDNKISRYJVQH-UHFFFAOYSA-N |
| MDL Number | MFCD24476606 |
| Molecular Formula | C7H13BrO2 |
| Molecular Weight | 209.0809 |
| SMILES | COC(C(C(C)(C)C)Br)=O |
| Synonyms | Methyl 2-bromo-3,3-dimethylbutanoate,
16495-40-2,
Butanoic acid, 2-bromo-3,3-dimethyl-, methyl ester,
CTK0A9076,
DTXSID50524246,
2-Brom-3,3-dimethylbuttersaeure-methylester,
114438-69-6,
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| Complexity | 126 |
| 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 | 3 |
| 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
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Certificate of Analysis
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