4-[4-(Trifluoromethyl)phenoxy]benzoic Acid - CAS 78161-82-7
Catalog: |
BB036119 |
Product Name: |
4-[4-(Trifluoromethyl)phenoxy]benzoic Acid |
CAS: |
78161-82-7 |
Synonyms: |
4-[4-(trifluoromethyl)phenoxy]benzoic acid; 4-[4-(trifluoromethyl)phenoxy]benzoic acid |
IUPAC Name: | 4-[4-(trifluoromethyl)phenoxy]benzoic acid |
Description: | 4-[4-(Trifluoromethyl)phenoxy]benzoic Acid (CAS# 78161-82-7) is a useful research chemical. |
Molecular Weight: | 282.21 |
Molecular Formula: | C14H9F3O3 |
Canonical SMILES: | C1=CC(=CC=C1C(=O)O)OC2=CC=C(C=C2)C(F)(F)F |
InChI: | InChI=1S/C14H9F3O3/c15-14(16,17)10-3-7-12(8-4-10)20-11-5-1-9(2-6-11)13(18)19/h1-8H,(H,18,19) |
InChI Key: | REDYCJOUKXVWEZ-UHFFFAOYSA-N |
MDL: | MFCD03840158 |
LogP: | 4.19590 |
Publication Number | Title | Priority Date |
WO-2020039092-A2 | Novel aromatic molecules | 20180824 |
EP-3841095-A2 | Aromatic molecules for use in the treatment of pathological conditions | 20180824 |
WO-2019161010-A1 | Inhibitors of trpc6 | 20180216 |
US-2021053935-A1 | Inhibitors of trpc6 | 20180216 |
JP-2020511427-A | New aromatic compounds | 20170224 |
Complexity: | 327 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 282.05037863 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 282.05037863 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 46.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.6 |
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