| CAS Number | 174873-81-5 |
| Catalog Number | AG00AR7G |
| Chemical Name | 1-Chrolo-8-Methylisoquinoline |
| IUPAC Name | 1-chloro-8-methylisoquinoline |
| InChI | InChI=1S/C10H8ClN/c1-7-3-2-4-8-5-6-12-10(11)9(7)8/h2-6H,1H3 |
| InChI Key | NUJXXDFSXKXXLS-UHFFFAOYSA-N |
| MDL Number | MFCD14702550 |
| Molecular Formula | C10H8ClN |
| Molecular Weight | 177.6302 |
| SMILES | CC1=CC=CC2=C1C(Cl)=NC=C2 |
| Synonyms | 1-CHLORO-8-METHYLISOQUINOLINE,
174873-81-5,
Isoquinoline, 1-chloro-8-methyl-,
1-Chrolo-8-Methylisoquinoline,
SCHEMBL1536351,
DTXSID40570671,
MFCD14702550,
ZINC34514587,
AKOS015995900,
MB13685,
BS-11758,
1-Chloro-8-methyl-isoquinoline,
ACN-S004809,
|
| 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 | 3.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number