Methyl 5-fluoro-2-phenylbenzoate - CAS 1247810-91-8
Catalog: |
BB056489 |
Product Name: |
Methyl 5-fluoro-2-phenylbenzoate |
CAS: |
1247810-91-8 |
Synonyms: |
Methyl 5-fluoro-2-phenylbenzoate; Methyl 4-fluoro-[1,1'-biphenyl]-2-carboxylate; methyl 4-fluoro-[1,1'-biphenyl)-2-carboxylate |
IUPAC Name: | methyl 5-fluoro-2-phenylbenzoate |
Description: | Methyl 5-fluoro-2-phenylbenzoate |
Molecular Weight: | 230.23 |
Molecular Formula: | C14H11FO2 |
Canonical SMILES: | COC(=O)C1=C(C=CC(=C1)F)C2=CC=CC=C2 |
InChI: | InChI=1S/C14H11FO2/c1-17-14(16)13-9-11(15)7-8-12(13)10-5-3-2-4-6-10/h2-9H,1H3 |
InChI Key: | YACAUOKBAYORPF-UHFFFAOYSA-N |
Complexity: | 261 |
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: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 230.07430775 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 26.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.5 |
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