([1,2,4]Triazolo[4,3-b]pyridazin-6-yloxy)acetic acid - CAS 842972-47-8
Catalog: |
BB037166 |
Product Name: |
([1,2,4]Triazolo[4,3-b]pyridazin-6-yloxy)acetic acid |
CAS: |
842972-47-8 |
Synonyms: |
2-([1,2,4]triazolo[4,3-b]pyridazin-6-yloxy)acetic acid |
IUPAC Name: | 2-([1,2,4]triazolo[4,3-b]pyridazin-6-yloxy)acetic acid |
Description: | ([1,2,4]Triazolo[4,3-b]pyridazin-6-yloxy)acetic acid (CAS# 842972-47-8) is a useful research chemical. |
Molecular Weight: | 194.15 |
Molecular Formula: | C7H6N4O3 |
Canonical SMILES: | C1=CC(=NN2C1=NN=C2)OCC(=O)O |
InChI: | InChI=1S/C7H6N4O3/c12-7(13)3-14-6-2-1-5-9-8-4-11(5)10-6/h1-2,4H,3H2,(H,12,13) |
InChI Key: | KCCUGNPBQXGXGB-UHFFFAOYSA-N |
Purity: | 95 % |
Density: | 1.69 g/cm3 |
MDL: | MFCD06255200 |
LogP: | -0.41230 |
Publication Number | Title | Priority Date |
EP-2130828-A1 | Sulfonamide derivative | 20070228 |
JP-5313125-B2 | Sulfonamide derivatives | 20070228 |
JP-WO2008105442-A1 | Sulfonamide derivatives | 20070228 |
US-2009048223-A1 | Sulfonamide compound | 20070228 |
US-7964613-B2 | Sulfonamide compound | 20070228 |
Complexity: | 225 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 194.04399007 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 194.04399007 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 89.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.4 |
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