| CAS Number | 138732-34-0 |
| Catalog Number | AG00HVBK(AGN-PC-0PN7PH) |
| Chemical Name | tert-Butyl 3-(bromomethyl)bicyclo[1.1.1]pentane-1-carboxylate |
| IUPAC Name | tert-butyl 3-(bromomethyl)bicyclo[1.1.1]pentane-1-carboxylate |
| InChI | InChI=1S/C11H17BrO2/c1-9(2,3)14-8(13)11-4-10(5-11,6-11)7-12/h4-7H2,1-3H3 |
| InChI Key | FMJZFIHFODXOHW-UHFFFAOYSA-N |
| MDL Number | MFCD29037328 |
| Molecular Formula | C11H17BrO2 |
| Molecular Weight | 261.1555 |
| SMILES | O=C(C1(C2)CC2(CBr)C1)OC(C)(C)C |
| Synonyms | tert-butyl 3-(bromomethyl)bicyclo[1.1.1]pentane-1-carboxylate,
138732-34-0,
ZINC258830268,
OR312464,
CS-0078667,
t-butyl 3-(bromomethyl)bicyclo(1.1.1)pentane-1-carboxylate,
Bicyclo[1.1.1]pentane-1-carboxylic acid, 3-(bromomethyl)-,1,1-dimethylethyl ester,
|
| Complexity | 258 |
| 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 | 4 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number