Methyl 3-[4-(ethoxycarbonyl)-3-fluorophenyl]-2-fluorobenzoate - CAS 1381944-56-4
Catalog: |
BB059723 |
Product Name: |
Methyl 3-[4-(ethoxycarbonyl)-3-fluorophenyl]-2-fluorobenzoate |
CAS: |
1381944-56-4 |
Synonyms: |
Methyl 3-(4-(ethoxycarbonyl)-3-fluorophenyl)-2-fluorobenzoate; Methyl 3-[4-(ethoxycarbonyl)-3-fluorophenyl]-2-fluorobenzoate; methyl 3-(4-ethoxycarbonyl-3-fluorophenyl)-2-fluorobenzoate; Methyl3-(4-(ethoxycarbonyl)-3-fluorophenyl)-2-fluorobenzoate; 4'-Ethyl 3-methyl 2,3'-difluoro-[1,1'-biphenyl]-3,4'-dicarboxylate |
IUPAC Name: | methyl 3-(4-ethoxycarbonyl-3-fluorophenyl)-2-fluorobenzoate |
Description: | Methyl 3-[4-(ethoxycarbonyl)-3-fluorophenyl]-2-fluorobenzoate |
Molecular Weight: | 320.29 |
Molecular Formula: | C17H14F2O4 |
Canonical SMILES: | CCOC(=O)C1=C(C=C(C=C1)C2=C(C(=CC=C2)C(=O)OC)F)F |
InChI: | InChI=1S/C17H14F2O4/c1-3-23-17(21)12-8-7-10(9-14(12)18)11-5-4-6-13(15(11)19)16(20)22-2/h4-9H,3H2,1-2H3 |
InChI Key: | AMBBTDZBXSSSBH-UHFFFAOYSA-N |
Complexity: | 429 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 320.08601525 |
Formal Charge: | 0 |
Heavy Atom Count: | 23 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 320.08601525 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 52.6Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.8 |
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