3-Fluoro-4-isopropoxybenzoic Acid - CAS 258273-30-2
Catalog: |
BB019037 |
Product Name: |
3-Fluoro-4-isopropoxybenzoic Acid |
CAS: |
258273-30-2 |
Synonyms: |
3-fluoro-4-propan-2-yloxybenzoic acid; 3-fluoro-4-propan-2-yloxybenzoic acid |
IUPAC Name: | 3-fluoro-4-propan-2-yloxybenzoic acid |
Description: | 3-Fluoro-4-isopropoxybenzoic Acid (CAS# 258273-30-2) is a useful research chemical. |
Molecular Weight: | 198.19 |
Molecular Formula: | C10H11FO3 |
Canonical SMILES: | CC(C)OC1=C(C=C(C=C1)C(=O)O)F |
InChI: | InChI=1S/C10H11FO3/c1-6(2)14-9-4-3-7(10(12)13)5-8(9)11/h3-6H,1-2H3,(H,12,13) |
InChI Key: | AFUBNDBLNISVBB-UHFFFAOYSA-N |
LogP: | 2.31110 |
Publication Number | Title | Priority Date |
EP-2948456-A1 | Bicyclic pyrimidone compounds as inhibitors of lp-pla2 | 20130125 |
US-2015344485-A1 | Bicyclic pyrimidone compounds as inhibitors of lp-pla2 | 20130125 |
WO-2014114249-A1 | Bicyclic pyrimidone compounds as inhibitors of lp-pla2 | 20130125 |
AU-2013209958-A1 | Pyran-spirocyclic piperidine amides as modulators of ion channels | 20120116 |
AU-2013209958-B2 | Pyran-spirocyclic piperidine amides as modulators of ion channels | 20120116 |
Complexity: | 206 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 198.06922237 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 198.06922237 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 46.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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