4-Methyl-1H-indazole-5-boronic Acid - CAS 1245816-09-4
Catalog: |
BB005914 |
Product Name: |
4-Methyl-1H-indazole-5-boronic Acid |
CAS: |
1245816-09-4 |
Synonyms: |
(4-methyl-1H-indazol-5-yl)boronic acid; (4-methyl-1H-indazol-5-yl)boronic acid |
IUPAC Name: | (4-methyl-1H-indazol-5-yl)boronic acid |
Description: | 4-Methyl-1H-indazole-5-boronic Acid (CAS# 1245816-09-4) is a useful research chemical. |
Molecular Weight: | 175.98 |
Molecular Formula: | C8H9N2O2B |
Canonical SMILES: | B(C1=C(C2=C(C=C1)NN=C2)C)(O)O |
InChI: | InChI=1S/C8H9BN2O2/c1-5-6-4-10-11-8(6)3-2-7(5)9(12)13/h2-4,12-13H,1H3,(H,10,11) |
InChI Key: | IZIRYCSGUBTOOF-UHFFFAOYSA-N |
Storage: | Inert atmosphere, 2-8 °C |
LogP: | -0.44890 |
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 |
AU-2015268962-A1 | MTH1 inhibitors for treatment of inflammatory and autoimmune conditions | 20140604 |
EP-3151833-A1 | Mth1 inhibitors for treatment of inflammatory and autoimmune conditions | 20140604 |
JP-2017516826-A | MTH1 inhibitors for the treatment of inflammatory and autoimmune diseases | 20140604 |
JP-6635949-B2 | MTH1 inhibitors for the treatment of inflammatory and autoimmune diseases | 20140604 |
US-10064869-B2 | MTH1 inhibitors for treatment of inflammatory and autoimmune conditions | 20140604 |
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: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 176.0757077 |
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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