| CAS Number | 1158756-43-4 |
| Catalog Number | AG01C47T |
| Chemical Name | tert-butyl 7-(bromomethyl)-1,2,3,4-tetrahydroisoquinoline-2-carboxylate |
| IUPAC Name | tert-butyl 7-(bromomethyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate |
| InChI | InChI=1S/C15H20BrNO2/c1-15(2,3)19-14(18)17-7-6-12-5-4-11(9-16)8-13(12)10-17/h4-5,8H,6-7,9-10H2,1-3H3 |
| InChI Key | QRHMCSWGZOZYDE-UHFFFAOYSA-N |
| MDL Number | MFCD12408147 |
| Molecular Formula | C15H20BrNO2 |
| Molecular Weight | 326.2288 |
| SMILES | BrCc1ccc2c(c1)CN(CC2)C(=O)OC(C)(C)C |
| Synonyms | 1158756-43-4,
tert-butyl 7-(bromomethyl)-1,2,3,4-tetrahydroisoquinoline-2-carboxylate,
tert-Butyl 7-(bromomethyl)-3,4-dihydroisoquinoline-2(1H)-carboxylate,
SCHEMBL1286143,
QRHMCSWGZOZYDE-UHFFFAOYSA-N,
AKOS027326061,
ZINC115749345,
tert-Butyl-7-(bromomethyl)-3,4-dihydroisoquinoline-2(1H)-carboxylate,
2-boc-7-bromomethyl-1,2,3,4-tetrahydroisoquinoline,
|
| Complexity | 327 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 325.068g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 326.234g/mol |
| Monoisotopic Mass | 325.068g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 29.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number