1-Benzyl-1H-pyrazole-5-boronic acid pinacol ester - CAS 1362243-50-2
Catalog: |
BB073461 |
Product Name: |
1-Benzyl-1H-pyrazole-5-boronic acid pinacol ester |
CAS: |
1362243-50-2 |
Synonyms: |
1-Benzyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole; 1-Benzyl-1H-pyrazole-5-boronic acid pinacol ester; 1-benzyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole; 1H-Pyrazole, 1-(phenylMethyl)-5-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)- |
IUPAC Name: | 1-benzyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole |
Description: | 1-Benzyl-1H-pyrazole-5-boronic acid pinacol ester |
Molecular Weight: | 284.16 |
Molecular Formula: | C16H21BN2O2 |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CC=NN2CC3=CC=CC=C3 |
InChI: | InChI=1S/C16H21BN2O2/c1-15(2)16(3,4)21-17(20-15)14-10-11-18-19(14)12-13-8-6-5-7-9-13/h5-11H,12H2,1-4H3 |
InChI Key: | AYWJWQSJIQZYEJ-UHFFFAOYSA-N |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 353 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 284.1696081 |
Formal Charge: | 0 |
Heavy Atom Count: | 21 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 284.1696081 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 36.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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