5-Fluoro-3-(4-methylphenyl)benzoic acid - CAS 1261978-89-5
Catalog: |
BB064926 |
Product Name: |
5-Fluoro-3-(4-methylphenyl)benzoic acid |
CAS: |
1261978-89-5 |
Synonyms: |
5-FLUORO-3-(4-METHYLPHENYL)BENZOIC ACID; 5-Fluoro-4'-methyl-[1,1'-biphenyl]-3-carboxylic acid; 3-fluoro-5-(4-methylphenyl)benzoic acid; 5-Fluoro-4'-methyl-[1,1'-biphenyl]-3-carboxylicacid |
IUPAC Name: | 3-fluoro-5-(4-methylphenyl)benzoic acid |
Description: | 5-Fluoro-3-(4-methylphenyl)benzoic acid |
Molecular Weight: | 230.23 |
Molecular Formula: | C14H11FO2 |
Canonical SMILES: | CC1=CC=C(C=C1)C2=CC(=CC(=C2)F)C(=O)O |
InChI: | InChI=1S/C14H11FO2/c1-9-2-4-10(5-3-9)11-6-12(14(16)17)8-13(15)7-11/h2-8H,1H3,(H,16,17) |
InChI Key: | XDZUYMRUEWJEPR-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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