5-Indoleboronic Acid Pinacol Ester - CAS 269410-24-4
Catalog: |
BB019418 |
Product Name: |
5-Indoleboronic Acid Pinacol Ester |
CAS: |
269410-24-4 |
Synonyms: |
5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole; 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole |
IUPAC Name: | 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole |
Description: | 5-Indoleboronic Acid Pinacol Ester (CAS# 269410-24-4) is a useful research chemical. |
Molecular Weight: | 243.11 |
Molecular Formula: | C14H18NO2B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)NC=C3 |
InChI: | InChI=1S/C14H18BNO2/c1-13(2)14(3,4)18-15(17-13)11-5-6-12-10(9-11)7-8-16-12/h5-9,16H,1-4H3 |
InChI Key: | FATPQDPUKVVCLT-UHFFFAOYSA-N |
Boiling Point: | 396 °C at 760 mmHg |
Melting Point: | 120-125 °C (lit.) |
Flash Point: | Not applicable |
Purity: | 97 % |
Density: | 1.11 g/cm3 |
MDL: | MFCD03789263 |
LogP: | 2.46710 |
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 |
CN-113493407-A | Pyridine compound and preparation method and pharmaceutical application thereof | 20200403 |
WO-2021202977-A1 | Pyrrolopyrimidine amines as complement inhibitors | 20200403 |
US-2021230153-A1 | Aryl hydrocarbon receptor (ahr) agonists and uses thereof | 20191220 |
WO-2020142485-A1 | Kinase inhibitor compounds and compositions and methods of use | 20181231 |
WO-2020142486-A1 | Kinase inhibitor compounds and compositions and methods of use | 20181231 |
Complexity: | 316 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 243.1430590 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 243.1430590 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 34.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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