3,5-Bis(trifluoromethyl)-1H-pyrazole-4-boronic Acid Pinacol Ester - CAS 1204334-20-2
Catalog: |
BB057187 |
Product Name: |
3,5-Bis(trifluoromethyl)-1H-pyrazole-4-boronic Acid Pinacol Ester |
CAS: |
1204334-20-2 |
Synonyms: |
4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-3,5-bis(trifluoromethyl)-1H-pyrazole; 3,5-bis(Trifluoromethyl)-1h-pyrazole-4-boronic acid pinacol ester; 3,5-Bis(trifluoromethyl)-1H-pyrazole-4-boronic acid, pinacol ester; 3,5-Bis(trifluoromethyl)-pyrazole-4-boronic acid pinacol ester; 3,5-BIS(TRIFLUOROMETHYL)-PYRAZOLE-4-BORONIC ACID PINACOL ESTER |
IUPAC Name: | 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,5-bis(trifluoromethyl)-1H-pyrazole |
Description: | 3,5-Bis(trifluoromethyl)-1h-pyrazole-4-boronic acid, pinacol ester (cas# 1204334-20-2) is a useful research chemical. |
Molecular Weight: | 330.03 |
Molecular Formula: | C11H13BN2O2F6 |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=C(NN=C2C(F)(F)F)C(F)(F)F |
InChI: | InChI=1S/C11H13BF6N2O2/c1-8(2)9(3,4)22-12(21-8)5-6(10(13,14)15)19-20-7(5)11(16,17)18/h1-4H3,(H,19,20) |
InChI Key: | CLZOYAKINXVSHM-UHFFFAOYSA-N |
Complexity: | 423 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 330.0974268 |
Formal Charge: | 0 |
Heavy Atom Count: | 22 |
Hydrogen Bond Acceptor Count: | 9 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 330.0974268 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 47.1Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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