| CAS Number | 1097010-25-7 |
| Catalog Number | AG01DDIG(AGN-PC-06KHCU) |
| Chemical Name | (4-(CHLOROMETHYL)PHENYL)(3,4-DIHYDROISOQUINOLIN-2(1H)-YL)METHANONE |
| IUPAC Name | [4-(chloromethyl)phenyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone |
| InChI | InChI=1S/C17H16ClNO/c18-11-13-5-7-15(8-6-13)17(20)19-10-9-14-3-1-2-4-16(14)12-19/h1-8H,9-12H2 |
| InChI Key | SQWOSHROZZKONH-UHFFFAOYSA-N |
| MDL Number | MFCD13658387 |
| Molecular Formula | C17H16ClNO |
| Molecular Weight | 285.7680 |
| SMILES | ClCc1ccc(cc1)C(=O)N1CCc2c(C1)cccc2 |
| Synonyms | 1097010-25-7,
(4-(chloromethyl)phenyl)(3,4-dihydroisoquinolin-2(1h)-yl)methanone,
MFCD13658387,
ZINC37342878,
3-(1-methoxyethyl)azetidinehydrochloride,
[4-(chloromethyl)phenyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone,
1781791-41-0,
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| Complexity | 338 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 285.092g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 285.771g/mol |
| Monoisotopic Mass | 285.092g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 20.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number