| CAS Number | 1949793-11-6 |
| Catalog Number | AG01B5JY |
| Chemical Name | Methyl 5-fluoro-1,2,3,4-tetrahydroisoquinoline-8-carboxylate |
| IUPAC Name | methyl 5-fluoro-1,2,3,4-tetrahydroisoquinoline-8-carboxylate |
| InChI | InChI=1S/C11H12FNO2/c1-15-11(14)8-2-3-10(12)7-4-5-13-6-9(7)8/h2-3,13H,4-6H2,1H3 |
| InChI Key | GVOOQTXMCOWTGF-UHFFFAOYSA-N |
| MDL Number | MFCD30476106 |
| Molecular Formula | C11H12FNO2 |
| Molecular Weight | 209.2169 |
| SMILES | COC(C1=C2C(CCNC2)=C(F)C=C1)=O |
| Synonyms | methyl 5-fluoro-1,2,3,4-tetrahydroisoquinoline-8-carboxylate,
1949793-11-6,
SCHEMBL17823167,
ZINC521398971,
|
| Complexity | 247 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 209.085g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 209.22g/mol |
| Monoisotopic Mass | 209.085g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 38.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number