Methyl 4-(2-cyanophenyl)-2-fluorobenzoate - CAS 1352317-81-7
Catalog: |
BB076204 |
Product Name: |
Methyl 4-(2-cyanophenyl)-2-fluorobenzoate |
CAS: |
1352317-81-7 |
Synonyms: |
Methyl 4-(2-cyanophenyl)-2-fluorobenzoate; Methyl 2'-cyano-3-fluoro-[1,1'-biphenyl]-4-carboxylate; Methyl2'-cyano-3-fluoro-[1,1'-biphenyl]-4-carboxylate |
IUPAC Name: | methyl 4-(2-cyanophenyl)-2-fluorobenzoate |
Description: | Methyl 4-(2-cyanophenyl)-2-fluorobenzoate |
Molecular Weight: | 255.24 |
Molecular Formula: | C15H10FNO2 |
Canonical SMILES: | COC(=O)C1=C(C=C(C=C1)C2=CC=CC=C2C#N)F |
InChI: | InChI=1S/C15H10FNO2/c1-19-15(18)13-7-6-10(8-14(13)16)12-5-3-2-4-11(12)9-17/h2-8H,1H3 |
InChI Key: | OOFHUTKSKDYNEV-UHFFFAOYSA-N |
Complexity: | 376 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 255.06955672 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 255.06955672 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 50.1Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.2 |
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