3-[3-(Benzyloxy)phenyl]-2-fluorobenzoic acid - CAS 1381944-41-7
Catalog: |
BB073465 |
Product Name: |
3-[3-(Benzyloxy)phenyl]-2-fluorobenzoic acid |
CAS: |
1381944-41-7 |
Synonyms: |
3-[3-(Benzyloxy)phenyl]-2-fluorobenzoic acid; 2-fluoro-3-(3-phenylmethoxyphenyl)benzoic acid; 3-[3-(Benzyloxy)phenyl]-2-fluorobenzoicacid; 3'-(Benzyloxy)-2-fluoro[1,1'-biphenyl]-3-carboxylic acid |
IUPAC Name: | 2-fluoro-3-(3-phenylmethoxyphenyl)benzoic acid |
Description: | 3-[3-(Benzyloxy)phenyl]-2-fluorobenzoic acid |
Molecular Weight: | 322.33 |
Molecular Formula: | C20H15FO3 |
Canonical SMILES: | C1=CC=C(C=C1)COC2=CC=CC(=C2)C3=C(C(=CC=C3)C(=O)O)F |
InChI: | InChI=1S/C20H15FO3/c21-19-17(10-5-11-18(19)20(22)23)15-8-4-9-16(12-15)24-13-14-6-2-1-3-7-14/h1-12H,13H2,(H,22,23) |
InChI Key: | ZWXCDLKKNAIJMT-UHFFFAOYSA-N |
Complexity: | 408 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 322.1005225 |
Formal Charge: | 0 |
Heavy Atom Count: | 24 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 322.1005225 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 46.5Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.6 |
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