3-(3-Methoxyphenyl)-5-trifluoromethylbenzoic acid - CAS 1261948-48-4
Catalog: |
BB076122 |
Product Name: |
3-(3-Methoxyphenyl)-5-trifluoromethylbenzoic acid |
CAS: |
1261948-48-4 |
Synonyms: |
3-(3-METHOXYPHENYL)-5-TRIFLUOROMETHYLBENZOIC ACID; 3'-Methoxy-5-(trifluoromethyl)-[1,1'-biphenyl]-3-carboxylic acid; 3-(3-methoxyphenyl)-5-(trifluoromethyl)benzoic acid; 3/'-Methoxy-5-(trifluoroMethyl)-[1,1/'-biphenyl]-3-carboxylic acid; 3'-Methoxy-5-(trifluoromethyl)-[1,1'-biphenyl]-3-carboxylicacid |
IUPAC Name: | 3-(3-methoxyphenyl)-5-(trifluoromethyl)benzoic acid |
Description: | 3-(3-Methoxyphenyl)-5-trifluoromethylbenzoic acid |
Molecular Weight: | 296.24 |
Molecular Formula: | C15H11F3O3 |
Canonical SMILES: | COC1=CC=CC(=C1)C2=CC(=CC(=C2)C(F)(F)F)C(=O)O |
InChI: | InChI=1S/C15H11F3O3/c1-21-13-4-2-3-9(8-13)10-5-11(14(19)20)7-12(6-10)15(16,17)18/h2-8H,1H3,(H,19,20) |
InChI Key: | PFCZETSTFXDYPA-UHFFFAOYSA-N |
Complexity: | 370 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 296.06602869 |
Formal Charge: | 0 |
Heavy Atom Count: | 21 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 296.06602869 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 46.5Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.9 |
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