4-Benzyloxy-1H-indazole - CAS 850364-08-8
Catalog: |
BB037419 |
Product Name: |
4-Benzyloxy-1H-indazole |
CAS: |
850364-08-8 |
Synonyms: |
4-phenylmethoxy-1H-indazole; 4-phenylmethoxy-1H-indazole |
IUPAC Name: | 4-phenylmethoxy-1H-indazole |
Description: | 4-Benzyloxy-1H-indazole (CAS# 850364-08-8) is used as a reactant in the synthesis of AG035029, a PPARy agonist. |
Molecular Weight: | 224.26 |
Molecular Formula: | C14H12N2O |
Canonical SMILES: | C1=CC=C(C=C1)COC2=CC=CC3=C2C=NN3 |
InChI: | InChI=1S/C14H12N2O/c1-2-5-11(6-3-1)10-17-14-8-4-7-13-12(14)9-15-16-13/h1-9H,10H2,(H,15,16) |
InChI Key: | KTYOLSBHUABXAW-UHFFFAOYSA-N |
Boiling Point: | 422.4 °C at 760 mmHg |
Density: | 1.247 g/cm3 |
Appearance: | Yellow to brown solid |
LogP: | 3.14190 |
Publication Number | Title | Priority Date |
CN-110003171-A | The small molecule invertibity BTK inhibitor for treating rheumatoid arthritis | 20190412 |
AU-2008223850-A1 | Indazoles used to treat estrogen receptor beta mediated disorders | 20070307 |
CA-2680109-A1 | Indazoles used to treat estrogen receptor beta mediated disorders | 20070307 |
EP-2118068-A1 | Indazoles used to treat estrogen receptor beta mediated disorders | 20070307 |
JP-2010520259-A | Indazole used for the treatment of estrogen beta-mediated disorders | 20070307 |
Complexity: | 240 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 224.094963011 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 224.094963011 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 37.9 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3 |
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