| CAS Number | 50387-95-6 |
| Catalog Number | AG00I91P(AGN-PC-02Q3VG) |
| Chemical Name | 1-Chloro-5,6,7,8-tetrahydroisoquinoline |
| IUPAC Name | 1-chloro-5,6,7,8-tetrahydroisoquinoline |
| InChI | InChI=1S/C9H10ClN/c10-9-8-4-2-1-3-7(8)5-6-11-9/h5-6H,1-4H2 |
| InChI Key | KKVXIJFUNYATQL-UHFFFAOYSA-N |
| MDL Number | MFCD29058741 |
| Molecular Formula | C9H10ClN |
| Molecular Weight | 167.6354 |
| SMILES | C1CCC2=C(Cl)N=CC=C2C1 |
| Synonyms | 1-Chloro-5,6,7,8-tetrahydroisoquinoline,
50387-95-6,
SCHEMBL2624104,
|
| Complexity | 138 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 167.05g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 167.636g/mol |
| Monoisotopic Mass | 167.05g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 12.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number