| CAS Number | 1023357-66-5 |
| Catalog Number | AG00077E(AGN-PC-0WNZ8Y) |
| Chemical Name | Borate(1-), [3-(1,1-dimethylethoxy)-3-oxopropyl]trifluoro-, potassium (1:1), (T-4)- |
| IUPAC Name | potassium;trifluoro-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]boranuide |
| InChI | InChI=1S/C7H13BF3O2.K/c1-7(2,3)13-6(12)4-5-8(9,10)11;/h4-5H2,1-3H3;/q-1;+1 |
| InChI Key | SCIFNXNSQDOFML-UHFFFAOYSA-N |
| MDL Number | MFCD09993465 |
| Molecular Formula | C7H13BF3KO2 |
| Molecular Weight | 236.0814 |
| SMILES | F[B-](F)(CCC(OC(C)(C)C)=O)F.[K+] |
| Synonyms | POTASSIUM 3-TRIFLUOROBORATOPROPIONATE TERT-BUTYL ESTER,
1023357-66-5,
Potassium (3-(tert-butoxy)-3-oxopropyl)trifluoroborate,
CTK8E9120,
DTXSID50678455,
SCIFNXNSQDOFML-UHFFFAOYSA-N,
RT-017525,
C-2138,
potassium (3-tert-butoxy-3-oxopropyl)trifluoroborate,
Potassium (3-tert-butoxy-3-oxopropyl)(trifluoro)borate(1-),
Borate(1-), [3-(1,1-dimethylethoxy)-3-oxopropyl]trifluoro-, potassium (1:1), (T-4)-,
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| Complexity | 188 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 236.06g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 236.083g/mol |
| Monoisotopic Mass | 236.06g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number