5-(2-Cyanophenyl)-2-fluorobenzoic acid - CAS 1345471-31-9
Catalog: |
BB068889 |
Product Name: |
5-(2-Cyanophenyl)-2-fluorobenzoic acid |
CAS: |
1345471-31-9 |
Synonyms: |
5-(2-Cyanophenyl)-2-fluorobenzoic acid; 5-(2-Cyanophenyl)-2-fluorobenzoicacid; 2'-Cyano-4-fluoro[1,1'-biphenyl]-3-carboxylic acid |
IUPAC Name: | 5-(2-cyanophenyl)-2-fluorobenzoic acid |
Description: | 5-(2-Cyanophenyl)-2-fluorobenzoic acid |
Molecular Weight: | 241.22 |
Molecular Formula: | C14H8FNO2 |
Canonical SMILES: | C1=CC=C(C(=C1)C#N)C2=CC(=C(C=C2)F)C(=O)O |
InChI: | InChI=1S/C14H8FNO2/c15-13-6-5-9(7-12(13)14(17)18)11-4-2-1-3-10(11)8-16/h1-7H,(H,17,18) |
InChI Key: | ALXMYYDZKCKBFA-UHFFFAOYSA-N |
Complexity: | 362 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 241.05390666 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 241.05390666 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 61.1Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.9 |
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