| CAS Number | 72677-89-5 |
| Catalog Number | AG01BH7X |
| Chemical Name | 6-chloroisoquinolin-5-amine |
| IUPAC Name | 6-chloroisoquinolin-5-amine |
| InChI | InChI=1S/C9H7ClN2/c10-8-2-1-6-5-12-4-3-7(6)9(8)11/h1-5H,11H2 |
| InChI Key | ODBKHKLBRJGEEX-UHFFFAOYSA-N |
| MDL Number | MFCD28668149 |
| Molecular Formula | C9H7ClN2 |
| Molecular Weight | 178.6183 |
| SMILES | NC1=C2C(C=NC=C2)=CC=C1Cl |
| Synonyms | 6-Chloroisoquinolin-5-amine,
72677-89-5,
5-Isoquinolinamine, 6-chloro-,
ZINC259748971,
|
| Complexity | 163 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 178.03g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 178.619g/mol |
| Monoisotopic Mass | 178.03g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 38.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number