| CAS Number | 2102412-01-9 |
| Catalog Number | AG01DHOZ |
| Chemical Name | tert-butyl 7-fluoro-3,4-dihydroisoquinoline-2(1H)-carboxylate |
| IUPAC Name | tert-butyl 7-fluoro-3,4-dihydro-1H-isoquinoline-2-carboxylate |
| InChI | InChI=1S/C14H18FNO2/c1-14(2,3)18-13(17)16-7-6-10-4-5-12(15)8-11(10)9-16/h4-5,8H,6-7,9H2,1-3H3 |
| InChI Key | GYNUYGOCNSZGNI-UHFFFAOYSA-N |
| MDL Number | MFCD31555369 |
| Molecular Formula | C14H18FNO2 |
| Molecular Weight | 251.2966 |
| SMILES | CC(C)(C)OC(=O)N1CCc2ccc(F)cc2C1 |
| Synonyms | tert-butyl 7-fluoro-3,4-dihydroisoquinoline-2(1H)-carboxylate,
2102412-01-9,
SCHEMBL19981606,
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| Complexity | 313 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 251.132g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 251.301g/mol |
| Monoisotopic Mass | 251.132g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 29.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
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Certificate of Analysis
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