1-Boc-1H-pyrrole-3-boronic Acid - CAS 832697-40-2
Catalog: |
BB037002 |
Product Name: |
1-Boc-1H-pyrrole-3-boronic Acid |
CAS: |
832697-40-2 |
Synonyms: |
[1-[(2-methylpropan-2-yl)oxy-oxomethyl]-3-pyrrolyl]boronic acid; [1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrol-3-yl]boronic acid |
IUPAC Name: | [1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrol-3-yl]boronic acid |
Description: | 1-Boc-1H-pyrrole-3-boronic Acid (CAS# 832697-40-2) is a useful research chemical. |
Molecular Weight: | 211.02 |
Molecular Formula: | C9H14NO4B |
Canonical SMILES: | B(C1=CN(C=C1)C(=O)OC(C)(C)C)(O)O |
InChI: | InChI=1S/C9H14BNO4/c1-9(2,3)15-8(12)11-5-4-7(6-11)10(13)14/h4-6,13-14H,1-3H3 |
InChI Key: | JTFQDOHHXGSMFC-UHFFFAOYSA-N |
LogP: | -0.04890 |
Publication Number | Title | Priority Date |
WO-2020221380-A1 | Selective ligands of human constitutive androstane receptor | 20190430 |
CN-108169409-B | Method for detecting content of monomer and trimer in organic boric acid | 20171217 |
EP-2558577-A1 | Bi-functional complexes and methods for making and using such complexes | 20100416 |
US-2013281324-A1 | Bi-functinal complexes and methods for making and using such complexes | 20100416 |
WO-2011127933-A1 | Bi-functional complexes and methods for making and using such complexes | 20100416 |
Complexity: | 239 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 211.1015881 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 211.1015881 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 71.7 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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