| CAS Number | 1158680-96-6 |
| Catalog Number | AG00HD3H(AGN-PC-0WRA58) |
| Chemical Name | 1-[4-(Tetramethyl-1,3,2-dioxaborolan-2-yl)-1h-indazol-1-yl]ethan-1-one |
| IUPAC Name | 1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]ethanone |
| InChI | InChI=1S/C15H19BN2O3/c1-10(19)18-13-8-6-7-12(11(13)9-17-18)16-20-14(2,3)15(4,5)21-16/h6-9H,1-5H3 |
| InChI Key | IKMLBOVAHLJSKT-UHFFFAOYSA-N |
| MDL Number | MFCD24040116 |
| Molecular Formula | C15H19BN2O3 |
| Molecular Weight | 286.1340 |
| SMILES | CC(N1N=CC2=C1C=CC=C2B3OC(C)(C)C(C)(C)O3)=O |
| Synonyms | 1158680-96-6,
1-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazol-1-yl)ethanone,
1-[4-(Tetramethyl-1,3,2-dioxaborolan-2-yl)-1h-indazol-1-yl]ethan-1-one,
SCHEMBL3707195,
CHEMBL3236911,
IKMLBOVAHLJSKT-UHFFFAOYSA-N,
ZINC170008292,
FT-0756715,
-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazol-1-yl]Ethanone,
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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 | 286.149g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 286.138g/mol |
| Monoisotopic Mass | 286.149g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 53.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number