3-Amino-1H-indazole-7-boronic acid pinacol ester - CAS 1626335-94-1
Catalog: |
BB074701 |
Product Name: |
3-Amino-1H-indazole-7-boronic acid pinacol ester |
CAS: |
1626335-94-1 |
Synonyms: |
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 |
IUPAC Name: | 7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazol-3-amine |
Description: | 3-Amino-1H-indazole-7-boronic acid pinacol ester |
Molecular Weight: | 259.11 |
Molecular Formula: | C13H18BN3O2 |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=C3C(=CC=C2)C(=NN3)N |
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 |
Complexity: | 348 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 259.149207 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 259.149207 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 73.2Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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