| CAS Number | 24623-38-9 |
| Catalog Number | AG01BIWK(AGN-PC-03H96G) |
| Chemical Name | 1,3-dichloro-5-methoxyisoquinoline |
| IUPAC Name | 1,3-dichloro-5-methoxyisoquinoline |
| InChI | InChI=1S/C10H7Cl2NO/c1-14-8-4-2-3-6-7(8)5-9(11)13-10(6)12/h2-5H,1H3 |
| InChI Key | DHWYGSPWPQXKME-UHFFFAOYSA-N |
| MDL Number | MFCD27948010 |
| Molecular Formula | C10H7Cl2NO |
| Molecular Weight | 228.0747 |
| SMILES | COC1=CC=CC2=C1C=C(Cl)N=C2Cl |
| Synonyms | 1,3-dichloro-5-methoxyisoquinoline,
24623-38-9,
SCHEMBL1317916,
ZINC115840614,
Isoquinoline, 1,3-dichloro-5-methoxy-,
FT-0704361,
|
| Complexity | 203 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 226.99g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 228.072g/mol |
| Monoisotopic Mass | 226.99g/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