3-Fluoro-4-(3-methylphenyl)benzoic Acid - CAS 1261993-08-1
Catalog: |
BB064928 |
Product Name: |
3-Fluoro-4-(3-methylphenyl)benzoic Acid |
CAS: |
1261993-08-1 |
Synonyms: |
3-FLUORO-4-(3-METHYLPHENYL)BENZOIC ACID; 2-Fluoro-3'-methyl-[1,1'-biphenyl]-4-carboxylic acid; 2-Fluoro-3'-methyl-[1,1'-biphenyl]-4-carboxylicacid |
IUPAC Name: | 3-fluoro-4-(3-methylphenyl)benzoic acid |
Molecular Weight: | 230.23 |
Molecular Formula: | C14H11FO2 |
Canonical SMILES: | CC1=CC(=CC=C1)C2=C(C=C(C=C2)C(=O)O)F |
InChI: | InChI=1S/C14H11FO2/c1-9-3-2-4-10(7-9)12-6-5-11(14(16)17)8-13(12)15/h2-8H,1H3,(H,16,17) |
InChI Key: | RWEMRZDXBYIYDX-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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