2-Fluoro-5-(4-fluoro-3-methylphenyl)benzoic acid - CAS 1179676-15-3
Catalog: |
BB063387 |
Product Name: |
2-Fluoro-5-(4-fluoro-3-methylphenyl)benzoic acid |
CAS: |
1179676-15-3 |
Synonyms: |
4,4'-Difluoro-3'-methyl-[1,1'-biphenyl]-3-carboxylic acid; 2-FLUORO-5-(4-FLUORO-3-METHYLPHENYL)BENZOIC ACID; 4,4'-Difluoro-3'-methyl-[1,1'-biphenyl]-3-carboxylicacid |
IUPAC Name: | 2-fluoro-5-(4-fluoro-3-methylphenyl)benzoic acid |
Description: | 2-Fluoro-5-(4-fluoro-3-methylphenyl)benzoic acid |
Molecular Weight: | 248.23 |
Molecular Formula: | C14H10F2O2 |
Canonical SMILES: | CC1=C(C=CC(=C1)C2=CC(=C(C=C2)F)C(=O)O)F |
InChI: | InChI=1S/C14H10F2O2/c1-8-6-9(2-4-12(8)15)10-3-5-13(16)11(7-10)14(17)18/h2-7H,1H3,(H,17,18) |
InChI Key: | YHBBLLCQZCJYRJ-UHFFFAOYSA-N |
Complexity: | 308 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 248.06488588 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 248.06488588 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 37.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.6 |
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