| CAS Number | 1934962-73-8 |
| Catalog Number | AG01FFUT(AGN-PC-3H4AG3) |
| Chemical Name | Methyl 4-(bromomethyl)bicyclo[2.2.2]octane-1-carboxylate |
| IUPAC Name | methyl 4-(bromomethyl)bicyclo[2.2.2]octane-1-carboxylate |
| InChI | InChI=1S/C11H17BrO2/c1-14-9(13)11-5-2-10(8-12,3-6-11)4-7-11/h2-8H2,1H3 |
| InChI Key | MZEOLPWRJRJUNY-UHFFFAOYSA-N |
| MDL Number | MFCD28388826 |
| Molecular Formula | C11H17BrO2 |
| Molecular Weight | 261.1555 |
| SMILES | BrCC12CCC(CC1)(CC2)C(=O)OC |
| Synonyms | Methyl 4-(bromomethyl)bicyclo[2.2.2]octane-1-carboxylate,
1934962-73-8,
A1-01470,
ZINC307247831,
FCH3769360,
AK00740560,
4-Bromomethyl-bicyclo[2.2.2]octane-1-carboxylic acid methyl ester,
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| Complexity | 225 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 260.041g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 261.159g/mol |
| Monoisotopic Mass | 260.041g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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