3-(4-Fluoro-2-methylphenyl)benzoic Acid - CAS 874133-65-0
Catalog: |
BB064984 |
Product Name: |
3-(4-Fluoro-2-methylphenyl)benzoic Acid |
CAS: |
874133-65-0 |
Synonyms: |
4'-Fluoro-2'-methyl[1,1'-biphenyl]-3-carboxylic Acid |
IUPAC Name: | 3-(4-fluoro-2-methylphenyl)benzoic acid |
Description: | 3-(4-Fluoro-2-methylphenyl)benzoic acid |
Molecular Weight: | 230.23 |
Molecular Formula: | C14H11FO2 |
Canonical SMILES: | CC1=C(C=CC(=C1)F)C2=CC(=CC=C2)C(=O)O |
InChI: | InChI=1S/C14H11FO2/c1-9-7-12(15)5-6-13(9)10-3-2-4-11(8-10)14(16)17/h2-8H,1H3,(H,16,17) |
InChI Key: | ONDXPXZFVLAWKG-UHFFFAOYSA-N |
Complexity: | 279 |
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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