3-(Ethoxycarbonyl)-1-methylpyrazole-5-boronic acid pinacol ester - CAS 1616930-46-1
Catalog: |
BB065944 |
Product Name: |
3-(Ethoxycarbonyl)-1-methylpyrazole-5-boronic acid pinacol ester |
CAS: |
1616930-46-1 |
Synonyms: |
3-(ETHOXYCARBONYL)-1-METHYLPYRAZOLE-5-BORONIC ACID PINACOL ESTER; Ethyl 1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole-3-carboxylate; ETHYL 1-METHYL-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PYRAZOLE-3-CARBOXYLATE |
IUPAC Name: | ethyl 1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole-3-carboxylate |
Description: | 3-(Ethoxycarbonyl)-1-methylpyrazole-5-boronic acid pinacol ester |
Molecular Weight: | 280.13 |
Molecular Formula: | C13H21BN2O4 |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CC(=NN2C)C(=O)OCC |
InChI: | InChI=1S/C13H21BN2O4/c1-7-18-11(17)9-8-10(16(6)15-9)14-19-12(2,3)13(4,5)20-14/h8H,7H2,1-6H3 |
InChI Key: | PAWIGDVBKPYTID-UHFFFAOYSA-N |
Complexity: | 373 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 280.1594373 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 280.1594373 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 62.6Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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