1-Boc-4-pyrazoleboronic Acid - CAS 1188405-87-9
Catalog: |
BB004312 |
Product Name: |
1-Boc-4-pyrazoleboronic Acid |
CAS: |
1188405-87-9 |
Synonyms: |
[1-[(2-methylpropan-2-yl)oxy-oxomethyl]-4-pyrazolyl]boronic acid; [1-[(2-methylpropan-2-yl)oxycarbonyl]pyrazol-4-yl]boronic acid |
IUPAC Name: | [1-[(2-methylpropan-2-yl)oxycarbonyl]pyrazol-4-yl]boronic acid |
Description: | 1-Boc-4-pyrazoleboronic Acid (CAS# 1188405-87-9) is a useful research chemical. |
Molecular Weight: | 212.01 |
Molecular Formula: | C8H13N2O4B |
Canonical SMILES: | B(C1=CN(N=C1)C(=O)OC(C)(C)C)(O)O |
InChI: | InChI=1S/C8H13BN2O4/c1-8(2,3)15-7(12)11-5-6(4-10-11)9(13)14/h4-5,13-14H,1-3H3 |
InChI Key: | IUEPVMMFUSDDBJ-UHFFFAOYSA-N |
Appearance: | Beige powder |
LogP: | -0.65390 |
Publication Number | Title | Priority Date |
WO-2021018009-A1 | Egfr inhibitor, composition, and preparation method therefor | 20190726 |
WO-2020184578-A1 | NOVEL elF2α PHOSPHORYLATION PROMOTER | 20190311 |
WO-2020163323-A1 | Methods and compositions for modulating splicing | 20190204 |
US-2020231584-A1 | PCSK9 Inhibitors and Methods of Use Thereof | 20190118 |
US-2020291041-A1 | PCSK9 Inhibitors and Methods of Use Thereof | 20190118 |
Complexity: | 241 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 212.0968371 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 212.0968371 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 84.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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