| CAS Number | 2137703-45-6 |
| Catalog Number | AG01E80E |
| Chemical Name | tert-butyl N-[3-(bromomethyl)bicyclo[1.1.1]pentan-1-yl]carbamate |
| IUPAC Name | tert-butyl N-[3-(bromomethyl)-1-bicyclo[1.1.1]pentanyl]carbamate |
| InChI | InChI=1S/C11H18BrNO2/c1-9(2,3)15-8(14)13-11-4-10(5-11,6-11)7-12/h4-7H2,1-3H3,(H,13,14) |
| InChI Key | MODSMOOZXDCUKD-UHFFFAOYSA-N |
| MDL Number | MFCD30734275 |
| Molecular Formula | C11H18BrNO2 |
| Molecular Weight | 276.1701 |
| SMILES | BrCC12CC(C1)(C2)NC(OC(C)(C)C)=O |
| Synonyms | tert-Butyl (3-(bromomethyl)bicyclo[1.1.1]pentan-1-yl)carbamate,
tert-butyl N-[3-(bromomethyl)bicyclo[1.1.1]pentan-1-yl]carbamate,
2137703-45-6,
CS-0078516,
|
| Complexity | 276 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 275.052g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 276.174g/mol |
| Monoisotopic Mass | 275.052g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 38.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
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Certificate of Analysis
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