3-(2-Fluoro-5-methylphenyl)-5-methoxybenzoic acid - CAS 1261971-58-7
Catalog: |
BB064927 |
Product Name: |
3-(2-Fluoro-5-methylphenyl)-5-methoxybenzoic acid |
CAS: |
1261971-58-7 |
Synonyms: |
3-(2-FLUORO-5-METHYLPHENYL)-5-METHOXYBENZOIC ACID; 2'-Fluoro-5-methoxy-5'-methyl-[1,1'-biphenyl]-3-carboxylic acid; 2/'-Fluoro-5-Methoxy-5/'-Methyl-[1,1/'-biphenyl]-3-carboxylic acid; 2'-Fluoro-5-methoxy-5'-methyl-[1,1'-biphenyl]-3-carboxylicacid |
IUPAC Name: | 3-(2-fluoro-5-methylphenyl)-5-methoxybenzoic acid |
Description: | 3-(2-Fluoro-5-methylphenyl)-5-methoxybenzoic acid |
Molecular Weight: | 260.26 |
Molecular Formula: | C15H13FO3 |
Canonical SMILES: | CC1=CC(=C(C=C1)F)C2=CC(=CC(=C2)OC)C(=O)O |
InChI: | InChI=1S/C15H13FO3/c1-9-3-4-14(16)13(5-9)10-6-11(15(17)18)8-12(7-10)19-2/h3-8H,1-2H3,(H,17,18) |
InChI Key: | LCUKFALQXGSDAY-UHFFFAOYSA-N |
Complexity: | 321 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 260.08487243 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 260.08487243 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 46.5Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.5 |
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