| CAS Number | 1557138-33-6 |
| Catalog Number | AG00HYCF(AGN-PC-0WQWWB) |
| Chemical Name | 6-(Trifluoromethyl)-1H-indole-2-boronic acid pinacol ester |
| IUPAC Name | 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6-(trifluoromethyl)-1H-indole |
| InChI | InChI=1S/C15H17BF3NO2/c1-13(2)14(3,4)22-16(21-13)12-7-9-5-6-10(15(17,18)19)8-11(9)20-12/h5-8,20H,1-4H3 |
| InChI Key | AIDAEVJGIFTDHC-UHFFFAOYSA-N |
| MDL Number | MFCD28397296 |
| Molecular Formula | C15H17BF3NO2 |
| Molecular Weight | 311.1072 |
| SMILES | FC(C1=CC2=C(C=C1)C=C(B3OC(C)(C)C(C)(C)O3)N2)(F)F |
| Synonyms | 1557138-33-6,
6-(Trifluoromethyl)-1H-indole-2-boronic acid pinacol ester,
AIDAEVJGIFTDHC-UHFFFAOYSA-N,
ZINC217047966,
2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6-trifluoromethyl-1H-indole,
DA-43975,
FT-0763860,
2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6-(trifluoromethyl)-1 H-indole,
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| Complexity | 425 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 311.13g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 311.111g/mol |
| Monoisotopic Mass | 311.13g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 34.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number