| CAS Number | 53618-65-8 |
| Catalog Number | AG01C384(AGN-PC-07XZZN) |
| Chemical Name | 9-chloro-7-methoxy-1,2,3,4-tetrahydroacridine |
| IUPAC Name | 9-chloro-7-methoxy-1,2,3,4-tetrahydroacridine |
| InChI | InChI=1S/C14H14ClNO/c1-17-9-6-7-13-11(8-9)14(15)10-4-2-3-5-12(10)16-13/h6-8H,2-5H2,1H3 |
| InChI Key | WVWZZVYSFUSLRK-UHFFFAOYSA-N |
| MDL Number | MFCD13477857 |
| Molecular Formula | C14H14ClNO |
| Molecular Weight | 247.7201 |
| SMILES | COC1=CC2=C(N=C3C(=C2Cl)CCCC3)C=C1 |
| Synonyms | 9-chloro-7-methoxy-1,2,3,4-tetrahydroacridine,
53618-65-8,
ZINC37637136,
AKOS010641180,
|
| Complexity | 273 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 247.076g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 247.722g/mol |
| Monoisotopic Mass | 247.076g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 22.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number