1H-Indazole-5-boronic Acid Pinacol Ester - CAS 862723-42-0
Catalog: |
BB037878 |
Product Name: |
1H-Indazole-5-boronic Acid Pinacol Ester |
CAS: |
862723-42-0 |
Synonyms: |
5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole; 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole |
IUPAC Name: | 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole |
Description: | 1H-Indazole-5-boronic Acid Pinacol Ester (CAS# 862723-42-0) is a useful research chemical. |
Molecular Weight: | 244.10 |
Molecular Formula: | C13H17N2O2B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)NN=C3 |
InChI: | InChI=1S/C13H17BN2O2/c1-12(2)13(3,4)18-14(17-12)10-5-6-11-9(7-10)8-15-16-11/h5-8H,1-4H3,(H,15,16) |
InChI Key: | SAGPUUKLGWNGOS-UHFFFAOYSA-N |
Boiling Point: | 404.123 °C at 760 mmHg |
Flash Point: | Not applicable |
Purity: | 95 % |
Density: | 1.154 g/cm3 |
Appearance: | White to tan crystalline powder |
MDL: | MFCD07367523 |
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-113264937-A | 4-aminopyrazolo [3,4-d ] pyrimidine derivative and application thereof | 20210608 |
WO-2021194326-A1 | Aminopyrimidine derivatives and their use as aryl hydrocarbon receptor modulators | 20200327 |
EP-3825322-A1 | Polypeptide compound, pharmaceutical composition, preparation method and application thereof | 20191112 |
US-2021139537-A1 | Polypeptide compound, pharmaceutical composition, preparation method and application thereof | 20191112 |
WO-2021093695-A1 | Polypeptide compound, pharmaceutical composition, preparation method and application thereof | 20191112 |
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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