4-(3-Benzyloxyphenyl)-2-fluorobenzoic acid - CAS 1261981-29-6
Catalog: |
BB061687 |
Product Name: |
4-(3-Benzyloxyphenyl)-2-fluorobenzoic acid |
CAS: |
1261981-29-6 |
Synonyms: |
3'-(Benzyloxy)-3-fluoro-[1,1'-biphenyl]-4-carboxylic acid; 4-(3-BENZYLOXYPHENYL)-2-FLUOROBENZOIC ACID; 2-fluoro-4-(3-phenylmethoxyphenyl)benzoic acid; 3/'-(Benzyloxy)-3-fluoro-[1,1/'-biphenyl]-4-carboxylic acid |
IUPAC Name: | 2-fluoro-4-(3-phenylmethoxyphenyl)benzoic acid |
Description: | 4-(3-Benzyloxyphenyl)-2-fluorobenzoic acid |
Molecular Weight: | 322.33 |
Molecular Formula: | C20H15FO3 |
Canonical SMILES: | C1=CC=C(C=C1)COC2=CC=CC(=C2)C3=CC(=C(C=C3)C(=O)O)F |
InChI: | InChI=1S/C20H15FO3/c21-19-12-16(9-10-18(19)20(22)23)15-7-4-8-17(11-15)24-13-14-5-2-1-3-6-14/h1-12H,13H2,(H,22,23) |
InChI Key: | GHTQHCSBWCIZHR-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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