| CAS Number | 129959-08-6 |
| Catalog Number | AG01BTMI |
| Chemical Name | 3-Chloro-8-methoxyisoquinoline |
| IUPAC Name | 3-chloro-8-methoxyisoquinoline |
| InChI | InChI=1S/C10H8ClNO/c1-13-9-4-2-3-7-5-10(11)12-6-8(7)9/h2-6H,1H3 |
| InChI Key | PWTGEQXHFZGVEV-UHFFFAOYSA-N |
| MDL Number | MFCD28669142 |
| Molecular Formula | C10H8ClNO |
| Molecular Weight | 193.6296 |
| SMILES | COC1=C2C(C=C(N=C2)Cl)=CC=C1 |
| Synonyms | 3-chloro-8-methoxyisoquinoline,
129959-08-6,
Isoquinoline, 3-chloro-8-methoxy-,
ZINC306913746,
|
| Complexity | 176 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 193.029g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 193.63g/mol |
| Monoisotopic Mass | 193.029g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 22.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number