1H-Indazole-6-boronic Acid - CAS 885068-10-0
Catalog: |
BB038895 |
Product Name: |
1H-Indazole-6-boronic Acid |
CAS: |
885068-10-0 |
Synonyms: |
6-Indazolyboronic acid; 1H-Indazol-6-yl-6-boronic acid; (1H-indazol-6-yl)boronic acid; Indazole-6-boronic acid; Boronic acid, 1H-indazol-6-yl-; MFCD04972419; J-500188; (2H-indazol-6-yl)boronic acid; AMBA00083; CTK5G0023 |
IUPAC Name: | 1H-indazol-6-ylboronic acid |
Description: | It is commonly used in the preparation of reactants such as dicyclic hydroxybenzophenone derivatives as hydroxysteroid dehydrogenase inhibitors. |
Molecular Weight: | 161.95 |
Molecular Formula: | C7H7BN2O2 |
Canonical SMILES: | B(C1=CC2=C(C=C1)C=NN2)(O)O |
InChI: | InChI=1S/C7H7BN2O2/c11-8(12)6-2-1-5-4-9-10-7(5)3-6/h1-4,11-12H,(H,9,10) |
InChI Key: | ZKNLCHWRWRYPGG-UHFFFAOYSA-N |
Boiling Point: | 457.0±37.0 °C (Predicted) |
Melting Point: | 112-117 °C |
Flash Point: | Not applicable |
Purity: | > 97 % (HPLC) |
Density: | 1.420±0.10 g/cm3 (Predicted) |
Appearance: | White or quasi-white powder |
Storage: | 2-8 °C |
MDL: | MFCD04972419 |
LogP: | -0.75730 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P301+P312, P330, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-111559990-A | Micromolecular oxathiazine derivative and application thereof | 20200529 |
CN-111559990-B | Micromolecular oxathiazine derivative and application thereof | 20200529 |
WO-2021211974-A1 | Hsd17b13 inhibitors and uses thereof | 20200418 |
CN-113087718-A | Thienopyrimidinone compounds and medical application thereof | 20200109 |
US-2021171455-A1 | Alpha-5 beta-1 inhibitors | 20191210 |
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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