| CAS Number | 2095464-28-9 |
| Catalog Number | AG01FSH8(AGN-PC-3H6063) |
| Chemical Name | tert-butyl 5-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole-1-carboxylate |
| IUPAC Name | tert-butyl 5-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indole-1-carboxylate |
| InChI | InChI=1S/C19H25BFNO4/c1-17(2,3)24-16(23)22-11-14(13-10-12(21)8-9-15(13)22)20-25-18(4,5)19(6,7)26-20/h8-11H,1-7H3 |
| InChI Key | WJPUUSBACLODRF-UHFFFAOYSA-N |
| MDL Number | MFCD30829985 |
| Molecular Formula | C19H25BFNO4 |
| Molecular Weight | 361.2155 |
| SMILES | O=C(OC(C)(C)C)N1C=C(C2=C1C=CC(F)=C2)B3OC(C)(C(C)(O3)C)C |
| Synonyms | TERT-BUTYL 5-FLUORO-3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1H-INDOLE-1-CARBOXYLATE,
2095464-28-9,
|
| Complexity | 546 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 361.186067g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 26 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 361.2g/mol |
| Monoisotopic Mass | 361.186067g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 49.7Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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