| CAS Number | 1315341-80-0 |
| Catalog Number | AG00HSKD(AGN-PC-0WNQT0) |
| Chemical Name | 1H-Indazole-1-carboxylic acid, 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, 1,1-dimethylethyl ester |
| IUPAC Name | tert-butyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-1-carboxylate |
| InChI | InChI=1S/C18H25BN2O4/c1-16(2,3)23-15(22)21-13-11-9-8-10-12(13)14(20-21)19-24-17(4,5)18(6,7)25-19/h8-11H,1-7H3 |
| InChI Key | NJYPEWHUZBKSQM-UHFFFAOYSA-N |
| MDL Number | MFCD07368042 |
| Molecular Formula | C18H25BN2O4 |
| Molecular Weight | 344.2131 |
| SMILES | C(=O)(OC(C)(C)C)n1nc(c2c1cccc2)B1OC(C(O1)(C)C)(C)C |
| Synonyms | 1315341-80-0,
1-BOC-Indazole-3-boronic acid pinacol ester,
tert-Butyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole-1-carboxylate,
AKOS015961733,
ZINC169893904,
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| Complexity | 516 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 344.191g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 25 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 344.218g/mol |
| Monoisotopic Mass | 344.191g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 62.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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