3-[3-(Trifluoromethyl)phenoxy]benzoic Acid - CAS 127389-09-7
Catalog: |
BB006797 |
Product Name: |
3-[3-(Trifluoromethyl)phenoxy]benzoic Acid |
CAS: |
127389-09-7 |
Synonyms: |
3-[3-(trifluoromethyl)phenoxy]benzoic acid; 3-[3-(trifluoromethyl)phenoxy]benzoic acid |
IUPAC Name: | 3-[3-(trifluoromethyl)phenoxy]benzoic acid |
Description: | 3-[3-(Trifluoromethyl)phenoxy]benzoic Acid (CAS# 127389-09-7) is a useful research chemical. |
Molecular Weight: | 282.21 |
Molecular Formula: | C14H9F3O3 |
Canonical SMILES: | C1=CC(=CC(=C1)OC2=CC=CC(=C2)C(F)(F)F)C(=O)O |
InChI: | InChI=1S/C14H9F3O3/c15-14(16,17)10-4-2-6-12(8-10)20-11-5-1-3-9(7-11)13(18)19/h1-8H,(H,18,19) |
InChI Key: | QQWGTGSIWXIDOA-UHFFFAOYSA-N |
LogP: | 4.19590 |
Publication Number | Title | Priority Date |
CA-2988421-A1 | Small molecule analogs of the nemo binding peptide | 20150601 |
EP-3302468-A1 | Small molecule analogs of the nemo binding peptide | 20150601 |
US-2018169078-A1 | Small Molecule Analogs of the Nemo Binding Peptide | 20150601 |
WO-2016196117-A1 | Small molecule analogs of the nemo binding peptide | 20150601 |
US-10758522-B2 | Small molecule analogs of the nemo binding peptide | 20150601 |
Complexity: | 343 |
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: | 4.5 |
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