| CAS Number | 1820687-14-6 |
| Catalog Number | AG01AMU8 |
| Chemical Name | 7-Chloro-6-Methoxy-1,2,3,4-Tetrahydroisoquinoline Hydrochloride |
| IUPAC Name | 7-chloro-6-methoxy-1,2,3,4-tetrahydroisoquinoline;hydrochloride |
| InChI | InChI=1S/C10H12ClNO.ClH/c1-13-10-5-7-2-3-12-6-8(7)4-9(10)11;/h4-5,12H,2-3,6H2,1H3;1H |
| InChI Key | NRSDSHISYIRAKM-UHFFFAOYSA-N |
| MDL Number | MFCD29034021 |
| Molecular Formula | C10H13Cl2NO |
| Molecular Weight | 234.1223 |
| SMILES | COC1=CC2=C(CNCC2)C=C1Cl.[H]Cl |
| Synonyms | 1820687-14-6,
7-chloro-6-methoxy-1,2,3,4-tetrahydroisoquinoline hydrochloride,
|
| Complexity | 176 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 233.037g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 234.12g/mol |
| Monoisotopic Mass | 233.037g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 21.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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