4-(4-Fluoro-3-methylphenyl)benzoic acid - CAS 885964-08-9
Catalog: |
BB064985 |
Product Name: |
4-(4-Fluoro-3-methylphenyl)benzoic acid |
CAS: |
885964-08-9 |
Synonyms: |
4-(4-FLUORO-3-METHYLPHENYL)BENZOIC ACID; 4'-Fluoro-3'-methyl-[1,1'-biphenyl]-4-carboxylic acid; 4'-Fluoro-3'-methyl-[1,1'-biphenyl]-4-carboxylicacid |
IUPAC Name: | 4-(4-fluoro-3-methylphenyl)benzoic acid |
Description: | 4-(4-Fluoro-3-methylphenyl)benzoic acid |
Molecular Weight: | 246.69 |
Molecular Formula: | C14H11ClO2 |
Canonical SMILES: | CC1=C(C=CC(=C1)C2=CC=C(C=C2)C(=O)O)F |
InChI: | InChI=1S/C14H11FO2/c1-9-8-12(6-7-13(9)15)10-2-4-11(5-3-10)14(16)17/h2-8H,1H3,(H,16,17) |
InChI Key: | VHCGFUUYMSWCTC-UHFFFAOYSA-N |
Complexity: | 271 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 230.07430775 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 230.07430775 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 37.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.5 |
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