| CAS Number | 1627721-59-8 |
| Catalog Number | AG01E661 |
| Chemical Name | Tert-Butyl 6-Fluoro-3-(4,4,5,5-Tetramethyl-1,3,2-Dioxaborolan-2-Yl)-1H-Indole-1-Carboxylate |
| IUPAC Name | tert-butyl 6-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(13-9-8-12(21)10-15(13)22)20-25-18(4,5)19(6,7)26-20/h8-11H,1-7H3 |
| InChI Key | VPSKWZLJMTUPPE-UHFFFAOYSA-N |
| MDL Number | MFCD28717138 |
| Molecular Formula | C19H25BFNO4 |
| Molecular Weight | 361.2155 |
| SMILES | C(=O)(OC(C)(C)C)n1cc(c2c1cc(cc2)F)B1OC(C(O1)(C)C)(C)C |
| Synonyms | tert-butyl 6-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole-1-carboxylate,
1627721-59-8,
SCHEMBL16009573,
VPSKWZLJMTUPPE-UHFFFAOYSA-N,
AS-55762,
6-fluoro-3-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-indole-1-carboxylic acid tert-butyl ester,
|
| Complexity | 546 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 361.186g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 26 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 361.22g/mol |
| Monoisotopic Mass | 361.186g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 49.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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