| CAS Number | 77383-17-6 |
| Catalog Number | AG01FFFH(AGN-PC-0N7YAL) |
| Chemical Name | tert-butyl 8-Bromooctanoate |
| IUPAC Name | tert-butyl 8-bromooctanoate |
| InChI | InChI=1S/C12H23BrO2/c1-12(2,3)15-11(14)9-7-5-4-6-8-10-13/h4-10H2,1-3H3 |
| InChI Key | HGJYTBCLFXAZMO-UHFFFAOYSA-N |
| MDL Number | MFCD27928608 |
| Molecular Formula | C12H23BrO2 |
| Molecular Weight | 279.2138 |
| SMILES | BrCCCCCCCC(=O)OC(C)(C)C |
| Synonyms | Tert-butyl 8-bromooctanoate,
77383-17-6,
t-butyl 8-bromooctanoate,
Octanoic acid, 8-bromo-, 1,1-dimethylethyl ester,
SCHEMBL6478162,
HGJYTBCLFXAZMO-UHFFFAOYSA-N,
8-Bromooctanoic acid tert-butyl ester,
CID10636360,
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| Complexity | 173 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 278.088g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 279.218g/mol |
| Monoisotopic Mass | 278.088g/mol |
| Rotatable Bond Count | 9 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.9 |
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