4-[(2-Fluorobenzyl)oxy]benzoic acid - CAS 405-24-3
Catalog: |
BB024553 |
Product Name: |
4-[(2-Fluorobenzyl)oxy]benzoic acid |
CAS: |
405-24-3 |
Synonyms: |
4-[(2-fluorophenyl)methoxy]benzoic acid |
IUPAC Name: | 4-[(2-fluorophenyl)methoxy]benzoic acid |
Description: | 4-[(2-Fluorobenzyl)oxy]benzoic acid (CAS# 405-24-3) is a useful research chemical. |
Molecular Weight: | 246.23 |
Molecular Formula: | C14H11FO3 |
Canonical SMILES: | C1=CC=C(C(=C1)COC2=CC=C(C=C2)C(=O)O)F |
InChI: | InChI=1S/C14H11FO3/c15-13-4-2-1-3-11(13)9-18-12-7-5-10(6-8-12)14(16)17/h1-8H,9H2,(H,16,17) |
InChI Key: | PKWADBDVMROXJB-UHFFFAOYSA-N |
Boiling Point: | 396.1 ℃ at 760 mmHg |
Purity: | 95 % |
Density: | 1.289 g/cm3 |
MDL: | MFCD07398696 |
LogP: | 3.10290 |
Publication Number | Title | Priority Date |
AU-2014310404-A1 | Amide derivatives as lysophosphatidic acid receptor antagonists | 20130820 |
AU-2014310404-B2 | Amide derivatives as lysophosphatidic acid receptor antagonists | 20130820 |
EA-028818-B1 | AMIDO DERIVATIVES AS ANTAGONISTS OF A RECEPTOR FOR LYSOPHOSPHATIDIC ACID | 20130820 |
EP-3036215-A1 | Amide derivatives as lysophosphatidic acid receptor antagonists | 20130820 |
JP-2016528274-A | Amide derivatives as lysophosphatidic acid receptor antagonists | 20130820 |
Complexity: | 274 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 246.06922237 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 246.06922237 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 46.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3 |
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