2-Methyl-2H-indazole-4-boronic Acid Pinacol Ester - CAS 885698-95-3
Catalog: |
BB039013 |
Product Name: |
2-Methyl-2H-indazole-4-boronic Acid Pinacol Ester |
CAS: |
885698-95-3 |
Synonyms: |
2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole; 2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole |
IUPAC Name: | 2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole |
Description: | 2-Methyl-2H-indazole-4-boronic Acid Pinacol Ester (CAS# 885698-95-3) is a useful research chemical. |
Molecular Weight: | 258.12 |
Molecular Formula: | C14H19N2O2B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CC=CC3=NN(C=C23)C |
InChI: | InChI=1S/C14H19BN2O2/c1-13(2)14(3,4)19-15(18-13)11-7-6-8-12-10(11)9-17(5)16-12/h6-9H,1-5H3 |
InChI Key: | YQMBOMPXHDRRIM-UHFFFAOYSA-N |
Boiling Point: | 404.4 °C at 760 mmHg |
Density: | 1.11 g/cm3 |
MDL: | MFCD11109437 |
LogP: | 1.87250 |
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-2020024281-A1 | Further substituted triazolo quinoxaline derivatives | 20180720 |
US-10981918-B2 | Further substituted triazolo quinoxaline derivatives | 20180720 |
US-2021139488-A1 | Substituted triazolo quinoxaline derivatives | 20180720 |
US-2021163491-A1 | Further substituted triazolo quinoxaline derivatives | 20180720 |
US-2019330226-A1 | Positive allosteric modulators of the muscarinic acetylcholine receptor m1 | 20180426 |
Complexity: | 345 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 258.1539580 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 258.1539580 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 36.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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