| CAS Number | 2089258-03-5 |
| Catalog Number | AG01BTIF |
| Chemical Name | 1,3-dichloro-6-fluoro-7-methoxyisoquinoline |
| IUPAC Name | 1,3-dichloro-6-fluoro-7-methoxyisoquinoline |
| InChI | InChI=1S/C10H6Cl2FNO/c1-15-8-4-6-5(2-7(8)13)3-9(11)14-10(6)12/h2-4H,1H3 |
| InChI Key | IEQQEFVARMURER-UHFFFAOYSA-N |
| MDL Number | MFCD30539834 |
| Molecular Formula | C10H6Cl2FNO |
| Molecular Weight | 246.0651 |
| SMILES | COC1=C(F)C=C2C(C(=NC(=C2)Cl)Cl)=C1 |
| Synonyms | 1,3-dichloro-6-fluoro-7-methoxyisoquinoline,
2089258-03-5,
ZINC584883058,
|
| Complexity | 232 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 244.981g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 246.062g/mol |
| Monoisotopic Mass | 244.981g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 22.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number