| CAS Number | 1097922-04-7 |
| Catalog Number | AG009499(AGN-PC-0WA3UG) |
| Chemical Name | 1-(6-amino-7-chloro-3,4-dihydroisoquinolin-2(1H)-yl)-2,2,2-trifluoroethanone |
| IUPAC Name | 1-(6-amino-7-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-2,2,2-trifluoroethanone |
| InChI | InChI=1S/C11H10ClF3N2O/c12-8-3-7-5-17(10(18)11(13,14)15)2-1-6(7)4-9(8)16/h3-4H,1-2,5,16H2 |
| InChI Key | AESUHWZTMPXZNX-UHFFFAOYSA-N |
| MDL Number | MFCD20921907 |
| Molecular Formula | C11H10ClF3N2O |
| Molecular Weight | 278.6581 |
| SMILES | O=C(C(F)(F)F)N1CCc2c(C1)cc(c(c2)N)Cl |
| Synonyms | 1097922-04-7,
1-(6-amino-7-chloro-3,4-dihydroisoquinolin-2(1H)-yl)-2,2,2-trifluoroethanone,
SCHEMBL13395346,
CA-424,
ZINC95495787,
AKOS026672434,
4CH-003963,
Z7289,
C11H10ClF3N2O,
AESUHWZTMPXZNX-UHFFFAOYSA-N,
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| Complexity | 337 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 278.043g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 278.659g/mol |
| Monoisotopic Mass | 278.043g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 46.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number