| CAS Number | 1626335-94-1 |
| Catalog Number | AG00HYRV |
| Chemical Name | 3-Amino-1H-indazole-7-boronic acid pinacol ester |
| IUPAC Name | 7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazol-3-amine |
| InChI | InChI=1S/C13H18BN3O2/c1-12(2)13(3,4)19-14(18-12)9-7-5-6-8-10(9)16-17-11(8)15/h5-7H,1-4H3,(H3,15,16,17) |
| InChI Key | MNGUVGDDCFPANK-UHFFFAOYSA-N |
| MDL Number | MFCD27936637 |
| Molecular Formula | C13H18BN3O2 |
| Molecular Weight | 259.1119 |
| SMILES | CC1(C)OB(OC1(C)C)c1cccc2c1[nH]nc2N |
| Synonyms | 1626335-94-1,
3-Amino-1H-indazole-7-boronic acid pinacol ester,
7-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazol-3-amine,
MNGUVGDDCFPANK-UHFFFAOYSA-N,
SCHEMBL15995835,
AKOS026671131,
ZINC170007632,
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| Complexity | 348 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 259.149g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 259.116g/mol |
| Monoisotopic Mass | 259.149g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 73.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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