1-(6-Amino-7-chloro-3,4-dihydroisoquinolin-2(1H)-yl)-2,2,2-trifluoroethanone - CAS 1097922-04-7
Catalog: |
BB075045 |
Product Name: |
1-(6-Amino-7-chloro-3,4-dihydroisoquinolin-2(1H)-yl)-2,2,2-trifluoroethanone |
CAS: |
1097922-04-7 |
Synonyms: |
1-(6-amino-7-chloro-3,4-dihydroisoquinolin-2(1H)-yl)-2,2,2-trifluoroethanone; 1-(6-amino-7-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-2,2,2-trifluoroethanone |
IUPAC Name: | 1-(6-amino-7-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-2,2,2-trifluoroethanone |
Description: | 1-(6-Amino-7-chloro-3,4-dihydroisoquinolin-2(1H)-yl)-2,2,2-trifluoroethanone is a building block used in the synthesis of pharmaceuticals. |
Molecular Weight: | 278.66 |
Molecular Formula: | C11H10ClF3N2O |
Canonical SMILES: | C1CN(CC2=CC(=C(C=C21)N)Cl)C(=O)C(F)(F)F |
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 |
Complexity: | 337 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 278.0433751 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 278.0433751 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 46.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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