1H-Indazole-4-boronic Acid - CAS 1023595-17-6
Catalog: |
BB000842 |
Product Name: |
1H-Indazole-4-boronic Acid |
CAS: |
1023595-17-6 |
Synonyms: |
1H-indazol-4-ylboronic acid; 1H-indazol-4-ylboronic acid |
IUPAC Name: | 1H-indazol-4-ylboronic acid |
Description: | Reactant for: Preparation of trisubstituted pyrimidines as phosphatidylinositol 3-kinase inhibitors; Preparation of bisphosphonate inhibitors of human farnesyl pyrophosphate synthase. |
Molecular Weight: | 161.95 |
Molecular Formula: | C7H7N2O2B |
Canonical SMILES: | B(C1=C2C=NNC2=CC=C1)(O)O |
InChI: | InChI=1S/C7H7BN2O2/c11-8(12)6-2-1-3-7-5(6)4-9-10-7/h1-4,11-12H,(H,9,10) |
InChI Key: | BGZZJZIZRARGGZ-UHFFFAOYSA-N |
Boiling Point: | 457.012 °C at 760 mmHg |
Melting Point: | 173-177 °C |
Flash Point: | Not applicable |
Density: | 1.423 g/cm3 |
Storage: | 2-8 °C |
MDL: | MFCD09878901 |
LogP: | -0.75730 |
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 |
WO-2021127333-A1 | Trpml modulators | 20191219 |
WO-2021115335-A1 | Compound as cyclin-dependent kinase 9 inhibitor and use thereof | 20191209 |
US-2021167321-A1 | Inorganic light emitting diode and inorganic light emitting device including the same | 20191128 |
CN-110642880-A | Preparation method of nitrogen unsubstituted pyrazole and indazole boric acid | 20191011 |
WO-2020186220-A1 | Compounds as inhibitors of macrophage migration inhibitory factor | 20190313 |
Complexity: | 168 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 162.0600576 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 162.0600576 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 69.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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