| CAS Number | 1073468-33-3 |
| Catalog Number | AG008SUC(AGN-PC-0WAEVN) |
| Chemical Name | Potassium 1-Boc-6-chloroindole-2-trifluoroborate |
| IUPAC Name | potassium;[6-chloro-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]-trifluoroboranuide |
| InChI | InChI=1S/C13H13BClF3NO2.K/c1-13(2,3)21-12(20)19-10-7-9(15)5-4-8(10)6-11(19)14(16,17)18;/h4-7H,1-3H3;/q-1;+1 |
| InChI Key | FZRLDAMXBGHRRY-UHFFFAOYSA-N |
| MDL Number | MFCD11054034 |
| Molecular Formula | C13H13BClF3KNO2 |
| Molecular Weight | 357.6053 |
| SMILES | Clc1ccc2c(c1)n(C(=O)OC(C)(C)C)c(c2)[B-](F)(F)F.[K+] |
| Synonyms | Potassium 1-Boc-6-chloroindole-2-trifluoroborate,
1073468-33-3,
Potassium (1-(tert-butoxycarbonyl)-6-chloro-1H-indol-2-yl)trifluoroborate,
C13H13BClF3NO2.K,
DTXSID30718661,
MFCD11054034,
AKOS015898159,
Z7167,
A-4867,
I10-1410,
Potassium [1-(tert-butoxycarbonyl)-6-chloro-1H-indol-2-yl](trifluoro)borate(1-),
|
| Complexity | 419 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 357.032g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 357.606g/mol |
| Monoisotopic Mass | 357.032g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 31.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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