| CAS Number | 215788-57-1 |
| Catalog Number | AG01A3TJ(AGN-PC-0WO55T) |
| Chemical Name | 5,6-Difluoro-1,2,3,4-tetrahydroisoquinoline |
| IUPAC Name | 5,6-difluoro-1,2,3,4-tetrahydroisoquinoline |
| InChI | InChI=1S/C9H9F2N/c10-8-2-1-6-5-12-4-3-7(6)9(8)11/h1-2,12H,3-5H2 |
| InChI Key | LSKHHGQHKLKTRX-UHFFFAOYSA-N |
| MDL Number | MFCD18860745 |
| Molecular Formula | C9H9F2N |
| Molecular Weight | 169.1713 |
| SMILES | FC1=C(F)C2=C(CNCC2)C=C1 |
| Synonyms | 5,6-difluoro-1,2,3,4-tetrahydroisoquinoline,
215788-57-1,
Isoquinoline, 5,6-difluoro-1,2,3,4-tetrahydro-,
SCHEMBL7634411,
ZINC82522949,
AKOS012978310,
NE47786,
|
| Complexity | 163 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 169.07g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 169.175g/mol |
| Monoisotopic Mass | 169.07g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number