| CAS Number | 1057279-05-6 |
| Catalog Number | AG0091YI(AGN-PC-0WAKPV) |
| Chemical Name | 2-(4-Bromophenyl)-1,2,3,4-tetrahydroisoquinoline |
| IUPAC Name | 2-(4-bromophenyl)-3,4-dihydro-1H-isoquinoline |
| InChI | InChI=1S/C15H14BrN/c16-14-5-7-15(8-6-14)17-10-9-12-3-1-2-4-13(12)11-17/h1-8H,9-11H2 |
| InChI Key | NCGNJJRGLWENIQ-UHFFFAOYSA-N |
| MDL Number | MFCD20919931 |
| Molecular Formula | C15H14BrN |
| Molecular Weight | 288.1824 |
| SMILES | Brc1ccc(cc1)N2CCc3ccccc3C2 |
| Synonyms | 1057279-05-6,
2-(4-Bromophenyl)-1,2,3,4-tetrahydroisoquinoline,
2-(4-Bromo-phenyl)-1,2,3,4-tetrahydro-isoquinoline,
MFCD20919931,
ZINC95915777,
1,2,3,4-Tetrahydro-2-(4-bromophenyl)isoquinoline,
2-(4-Bromo-phenyl)-1,2,3,4-tetrahydro-isoquinoline - 1G 1g,
|
| Complexity | 247 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 287.031g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 288.188g/mol |
| Monoisotopic Mass | 287.031g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 3.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.3 |
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Certificate of Analysis
Lot Number