1-Methyl-1H-indazole-6-boronic Acid - CAS 1150114-80-9
Catalog: |
BB003462 |
Product Name: |
1-Methyl-1H-indazole-6-boronic Acid |
CAS: |
1150114-80-9 |
Synonyms: |
(1-methyl-6-indazolyl)boronic acid; (1-methylindazol-6-yl)boronic acid |
IUPAC Name: | (1-methylindazol-6-yl)boronic acid |
Description: | 1-Methyl-1H-indazole-6-boronic Acid (CAS# 1150114-80-9) is a useful research chemical. |
Molecular Weight: | 175.98 |
Molecular Formula: | C8H9N2O2B |
Canonical SMILES: | B(C1=CC2=C(C=C1)C=NN2C)(O)O |
InChI: | InChI=1S/C8H9BN2O2/c1-11-8-4-7(9(12)13)3-2-6(8)5-10-11/h2-5,12-13H,1H3 |
InChI Key: | OMVQAWCHQBKZCF-UHFFFAOYSA-N |
Boiling Point: | 397.5 °C at 760 mmHg |
Melting Point: | 277-283 °C |
Flash Point: | Not applicable |
Purity: | ≥ 95 % |
Density: | 1.27 g/cm3 |
Appearance: | Solid |
Storage: | 2-8 °C |
MDL: | MFCD09870053 |
LogP: | -0.74690 |
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-2021152149-A1 | Ras inhibitors and methods of using the same | 20200131 |
JP-2020193176-A | New biaryl derivatives and their pharmaceutical applications | 20190530 |
JP-2019182784-A | Dihydropyrazolopyrazinone derivatives | 20180410 |
KR-20190113598-A | 2-cyanopyrimidin-4-yl carbamate or urea derivative or its salt and pharmaceutical composition comprising the same | 20180328 |
WO-2019190117-A1 | 2-cyanopyrimidin-4-yl carbamate or urea derivative or salt thereof, and pharmaceutical composition including same | 20180328 |
Complexity: | 191 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 176.0757077 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 176.0757077 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 58.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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