1-(2-Methylpropyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole - CAS 2223047-52-5
Catalog: |
BB052139 |
Product Name: |
1-(2-Methylpropyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole |
CAS: |
2223047-52-5 |
Synonyms: |
1-Isobutyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole; 1H-Pyrazole, 1-(2-methylpropyl)-3-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)- |
IUPAC Name: | 1-(2-methylpropyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole |
Molecular Weight: | 250.15 |
Molecular Formula: | C13H23BN2O2 |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=NN(C=C2)CC(C)C |
InChI: | InChI=1S/C13H23BN2O2/c1-10(2)9-16-8-7-11(15-16)14-17-12(3,4)13(5,6)18-14/h7-8,10H,9H2,1-6H3 |
InChI Key: | OPNPCVUKFYMRJM-UHFFFAOYSA-N |
Complexity: | 291 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 250.1852581 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 250.1852581 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 36.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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