Methyl 4-fluoro-3-(4-methylphenyl)benzoate - CAS 1381944-67-7
Catalog: |
BB059682 |
Product Name: |
Methyl 4-fluoro-3-(4-methylphenyl)benzoate |
CAS: |
1381944-67-7 |
Synonyms: |
Methyl 4-fluoro-3-(4-methylphenyl)benzoate; Methyl 6-fluoro-4'-methyl-[1,1'-biphenyl]-3-carboxylate; Methyl6-fluoro-4'-methyl-[1,1'-biphenyl]-3-carboxylate |
IUPAC Name: | methyl 4-fluoro-3-(4-methylphenyl)benzoate |
Description: | Methyl 4-fluoro-3-(4-methylphenyl)benzoate |
Molecular Weight: | 244.26 |
Molecular Formula: | C15H13FO2 |
Canonical SMILES: | CC1=CC=C(C=C1)C2=C(C=CC(=C2)C(=O)OC)F |
InChI: | InChI=1S/C15H13FO2/c1-10-3-5-11(6-4-10)13-9-12(15(17)18-2)7-8-14(13)16/h3-9H,1-2H3 |
InChI Key: | SBUQUZPXWGUBDD-UHFFFAOYSA-N |
Complexity: | 284 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 244.08995782 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 244.08995782 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 26.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.9 |
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