1-(Difluoromethyl)pyrazole-4-boronic Acid Pinacol Ester - CAS 1206640-82-5
Catalog: |
BB004923 |
Product Name: |
1-(Difluoromethyl)pyrazole-4-boronic Acid Pinacol Ester |
CAS: |
1206640-82-5 |
Synonyms: |
1-(difluoromethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole; 1-(difluoromethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole |
IUPAC Name: | 1-(difluoromethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole |
Description: | 1-(Difluoromethyl)pyrazole-4-boronic Acid Pinacol Ester (CAS# 1206640-82-5) is a useful research chemical. |
Molecular Weight: | 244.05 |
Molecular Formula: | C10H15F2N2O2B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CN(N=C2)C(F)F |
InChI: | InChI=1S/C10H15BF2N2O2/c1-9(2)10(3,4)17-11(16-9)7-5-14-15(6-7)8(12)13/h5-6,8H,1-4H3 |
InChI Key: | SACVSUQLLHEZLY-UHFFFAOYSA-N |
MDL: | MFCD17011852 |
LogP: | 1.57740 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-112010860-A | Benzyloxypyrazolopyrimidine compounds, pharmaceutical compositions and uses thereof | 20200805 |
WO-2021197276-A1 | Amide compounds and uses thereof | 20200330 |
WO-2021149692-A1 | Novel antimalarial agent containing heterocyclic compound | 20200121 |
CN-113082023-A | Pharmaceutical combination of P2X3 inhibitor and P2X4 inhibitor and application thereof | 20191223 |
WO-2021116178-A1 | Pyrazolotriazines | 20191211 |
Complexity: | 286 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 244.1194642 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 244.1194642 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 36.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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