| CAS Number | 1883598-68-2 |
| Catalog Number | AG01FNMB(AGN-PC-3H4BFH) |
| Chemical Name | tert-butyl 5-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole-1-carboxylate |
| IUPAC Name | tert-butyl 5-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indole-1-carboxylate |
| InChI | InChI=1S/C20H28BNO4/c1-13-9-10-16-14(11-13)15(12-22(16)17(23)24-18(2,3)4)21-25-19(5,6)20(7,8)26-21/h9-12H,1-8H3 |
| InChI Key | VNYDSZKOZVVGTF-UHFFFAOYSA-N |
| MDL Number | MFCD14155741 |
| Molecular Formula | C20H28BNO4 |
| Molecular Weight | 357.2516 |
| SMILES | CC=1C=C2C(=CN(C2=CC1)C(=O)OC(C)(C)C)B1OC(C(O1)(C)C)(C)C |
| Synonyms | AS-74400,
1883598-68-2,
tert-butyl 5-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole-1-carboxylate,
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| Complexity | 541 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 357.211139g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 26 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 357.3g/mol |
| Monoisotopic Mass | 357.211139g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 49.7Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number