| CAS Number | 1256359-96-2 |
| Catalog Number | AG009WUS(AGN-PC-0WAAFO) |
| Chemical Name | 4-fluoroindole-2-boronic acid pinacol ester |
| IUPAC Name | 4-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole |
| InChI | InChI=1S/C14H17BFNO2/c1-13(2)14(3,4)19-15(18-13)12-8-9-10(16)6-5-7-11(9)17-12/h5-8,17H,1-4H3 |
| InChI Key | KQBFUSLFUVLNQM-UHFFFAOYSA-N |
| MDL Number | MFCD16618972 |
| Molecular Formula | C14H17BFNO2 |
| Molecular Weight | 261.0997 |
| SMILES | CC1(C)C(C)(C)OB(C(N2)=CC3=C2C=CC=C3F)O1 |
| Synonyms | 4-Fluoroindole-2-boronic acid pinacol ester,
1256359-96-2,
4-FLUORO-2-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1H-INDOLE,
KQBFUSLFUVLNQM-UHFFFAOYSA-N,
SCHEMBL15942282,
DTXSID30682313,
MFCD16618972,
AKOS022184163,
ZINC169936247,
FCH2770972,
MB14886,
AK-85307,
PC412429,
X0455,
B-2778,
C14H17BFNO2,
|
| Complexity | 347 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 261.134g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 261.103g/mol |
| Monoisotopic Mass | 261.134g/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