1H-Indazol-4-ylboronic Acid Pinacol Ester - CAS 885618-33-7
Catalog: |
BB039006 |
Product Name: |
1H-Indazol-4-ylboronic Acid Pinacol Ester |
CAS: |
885618-33-7 |
Synonyms: |
4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole; 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole |
IUPAC Name: | 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole |
Description: | 1H-Indazol-4-ylboronic Acid Pinacol Ester (CAS# 885618-33-7) is a useful research chemical. |
Molecular Weight: | 244.10 |
Molecular Formula: | C13H17N2O2B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=C3C=NNC3=CC=C2 |
InChI: | InChI=1S/C13H17BN2O2/c1-12(2)13(3,4)18-14(17-12)10-6-5-7-11-9(10)8-15-16-11/h5-8H,1-4H3,(H,15,16) |
InChI Key: | YRPXZCWDXBNPBD-UHFFFAOYSA-N |
Boiling Point: | 404.123 °C at 760 mmHg |
Density: | 1.154 g/cm3 |
MDL: | MFCD08059267 |
LogP: | 1.86210 |
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-113045582-A | PARP-1/PI3K double-target inhibitor or pharmaceutically acceptable salt thereof, and preparation method and application thereof | 20210205 |
US-2020024281-A1 | Further substituted triazolo quinoxaline derivatives | 20180720 |
US-10981918-B2 | Further substituted triazolo quinoxaline derivatives | 20180720 |
BR-112021000857-A2 | ADDITIONAL REPLACED DERIVATIVES OF QUINOXALIN TRIAZOLE | 20180720 |
US-2021139488-A1 | Substituted triazolo quinoxaline derivatives | 20180720 |
Complexity: | 319 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 244.1383080 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 244.1383080 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 47.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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