3-Fluoro-4-(2-methylthiophenyl)benzoic acid - CAS 1261974-64-4
Catalog: |
BB064925 |
Product Name: |
3-Fluoro-4-(2-methylthiophenyl)benzoic acid |
CAS: |
1261974-64-4 |
Synonyms: |
3-FLUORO-4-(2-METHYLTHIOPHENYL)BENZOIC ACID; 3-fluoro-4-(2-methylsulfanylphenyl)benzoic acid; 3-FLUORO-4-(2-METHYLTHIOPHENYL)BENZOICACID; 2-FLUORO-2'-(METHYLSULFANYL)-[1,1'-BIPHENYL]-4-CARBOXYLIC ACID |
IUPAC Name: | 3-fluoro-4-(2-methylsulfanylphenyl)benzoic acid |
Description: | 3-Fluoro-4-(2-methylthiophenyl)benzoic acid |
Molecular Weight: | 236.26 |
Molecular Formula: | C12H9FO2S |
Canonical SMILES: | CSC1=CC=CC=C1C2=C(C=C(C=C2)C(=O)O)F |
InChI: | InChI=1S/C14H11FO2S/c1-18-13-5-3-2-4-11(13)10-7-6-9(14(16)17)8-12(10)15/h2-8H,1H3,(H,16,17) |
InChI Key: | UXVKDWAWWSHTRY-UHFFFAOYSA-N |
Complexity: | 298 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 262.04637893 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 262.04637893 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 62.6Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.7 |
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