| CAS Number | 1988725-67-2 |
| Catalog Number | AG01EIP4 |
| Chemical Name | 8-chloro-6-methylisoquinoline |
| IUPAC Name | 8-chloro-6-methylisoquinoline |
| InChI | InChI=1S/C10H8ClN/c1-7-4-8-2-3-12-6-9(8)10(11)5-7/h2-6H,1H3 |
| InChI Key | WGEXKUOPBCSTCB-UHFFFAOYSA-N |
| MDL Number | MFCD31615698 |
| Molecular Formula | C10H8ClN |
| Molecular Weight | 177.6302 |
| SMILES | CC1=CC2=C(C=NC=C2)C(Cl)=C1 |
| Synonyms | 8-chloro-6-methylisoquinoline,
SCHEMBL17981048,
AKOS034131252,
1988725-67-2,
|
| Complexity | 160 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 177.035g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 177.631g/mol |
| Monoisotopic Mass | 177.035g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 12.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number