4-(5-Methyl-1,3,4-oxadiazol-2-yl)phenylboronic Acid - CAS 913835-70-8
Catalog: |
BB040143 |
Product Name: |
4-(5-Methyl-1,3,4-oxadiazol-2-yl)phenylboronic Acid |
CAS: |
913835-70-8 |
Synonyms: |
[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]boronic acid; [4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]boronic acid |
IUPAC Name: | [4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]boronic acid |
Description: | 4-(5-Methyl-1,3,4-oxadiazol-2-yl)phenylboronic Acid (CAS# 913835-70-8) is a useful reactant for the synthesis of imidazo[4,5-b]pyridine analogs which were studied for their potential as cytotoxic agents. |
Molecular Weight: | 203.99 |
Molecular Formula: | C9H9N2O3B |
Canonical SMILES: | B(C1=CC=C(C=C1)C2=NN=C(O2)C)(O)O |
InChI: | InChI=1S/C9H9BN2O3/c1-6-11-12-9(15-6)7-2-4-8(5-3-7)10(13)14/h2-5,13-14H,1H3 |
InChI Key: | SPSKFVHUUJWUPB-UHFFFAOYSA-N |
Boiling Point: | 418.2 °C at 760 mmHg |
Density: | 1.34 g/cm3 |
Appearance: | Solid |
MDL: | MFCD08436062 |
LogP: | -0.27520 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-2019375753-A1 | Pyrazolo-pyrimidin-amino-cycloalkyl compounds and their therapeutic uses | 20180605 |
US-11046699-B2 | Pyrazolo-pyrimidin-amino-cycloalkyl compounds and their therapeutic uses | 20180605 |
EP-3573969-A1 | Benzyloxypyrazinylcyclopropanecarboxylic acids, pharmaceutical compositions and uses thereof | 20170126 |
US-10603317-B2 | Benzylaminopyridylcyclopropanecarboxylic acids, pharmaceutical compositions and uses thereof | 20170126 |
US-2019381037-A1 | Benzylaminopyridylcyclopropanecarboxylic acids, pharmaceutical compositions and uses thereof | 20170126 |
Complexity: | 210 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 204.0706223 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 204.0706223 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 79.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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