1-Acetyl-1H-indazole-6-boronic Acid Pinacol Ester - CAS 1256359-07-5
Catalog: |
BB006167 |
Product Name: |
1-Acetyl-1H-indazole-6-boronic Acid Pinacol Ester |
CAS: |
1256359-07-5 |
Synonyms: |
1-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-indazolyl]ethanone; 1-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]ethanone |
IUPAC Name: | 1-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]ethanone |
Description: | 1-Acetyl-1H-indazole-6-boronic Acid Pinacol Ester (CAS# 1256359-07-5) is a useful research chemical. |
Molecular Weight: | 286.13 |
Molecular Formula: | C15H19N2O3B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)C=NN3C(=O)C |
InChI: | InChI=1S/C15H19BN2O3/c1-10(19)18-13-8-12(7-6-11(13)9-17-18)16-20-14(2,3)15(4,5)21-16/h6-9H,1-5H3 |
InChI Key: | JWJAPNZXZJVGAJ-UHFFFAOYSA-N |
LogP: | 1.99560 |
Complexity: | 425 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 286.1488726 |
Formal Charge: | 0 |
Heavy Atom Count: | 21 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 286.1488726 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 53.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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