| CAS Number | 328933-47-7 |
| Catalog Number | AG00D4K7(AGN-PC-020JS6) |
| Chemical Name | 4-(2-Bromopropanoyl)phenyl pivalate |
| IUPAC Name | [4-(2-bromopropanoyl)phenyl] 2,2-dimethylpropanoate |
| InChI | InChI=1S/C14H17BrO3/c1-9(15)12(16)10-5-7-11(8-6-10)18-13(17)14(2,3)4/h5-9H,1-4H3 |
| InChI Key | WCOJGOGSLIIZFN-UHFFFAOYSA-N |
| MDL Number | MFCD26936351 |
| Molecular Formula | C14H17BrO3 |
| Molecular Weight | 313.1870 |
| SMILES | [Br]C(C(=O)C1(=CC=C(OC(=O)C(C)(C)C)C=C1))C |
| Synonyms | 328933-47-7,
4-(2-bromopropanoyl)phenyl 2,2-dimethylpropanoate,
4-(2-Bromopropanoyl)phenyl pivalate,
MFCD26936351,
AKOS025393560,
SS-4685,
OR310377,
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| Complexity | 312 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 312.036g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 313.191g/mol |
| Monoisotopic Mass | 312.036g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 43.4A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4 |
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Certificate of Analysis
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