6-(2,2,2-trifluoroethoxy)pyridazine-3-carboxylic acid - CAS 1178449-40-5
Catalog: |
BB004017 |
Product Name: |
6-(2,2,2-trifluoroethoxy)pyridazine-3-carboxylic acid |
CAS: |
1178449-40-5 |
Synonyms: |
6-(2,2,2-trifluoroethoxy)-3-pyridazinecarboxylic acid; 6-(2,2,2-trifluoroethoxy)pyridazine-3-carboxylic acid |
IUPAC Name: | 6-(2,2,2-trifluoroethoxy)pyridazine-3-carboxylic acid |
Description: | 6-(2,2,2-trifluoroethoxy)pyridazine-3-carboxylic acid (CAS# 1178449-40-5) is a useful research chemical. |
Molecular Weight: | 222.123 |
Molecular Formula: | C7H5F3N2O3 |
Canonical SMILES: | C1=CC(=NN=C1C(=O)O)OCC(F)(F)F |
InChI: | InChI=1S/C7H5F3N2O3/c8-7(9,10)3-15-5-2-1-4(6(13)14)11-12-5/h1-2H,3H2,(H,13,14) |
InChI Key: | KSZRBRNXHFNPAW-UHFFFAOYSA-N |
Publication Number | Title | Priority Date |
CA-2870992-A1 | Amide derivatives as ttx-s blockers | 20120425 |
CN-104364235-A | Amide derivatives as TTX-S blockers | 20120425 |
EP-2841421-A1 | Amide derivatives as ttx-s blockers | 20120425 |
EP-2841421-B1 | Amide derivatives as ttx-s blockers | 20120425 |
JP-2015514680-A | Amide derivatives as TTX-S blockers | 20120425 |
Complexity: | 234 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 222.02522651 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 8 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 222.02522651 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 72.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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