4'-Cyano-3'-fluorobiphenyl-4-carboxylic acid - CAS 1260811-82-2
Catalog: |
BB068995 |
Product Name: |
4'-Cyano-3'-fluorobiphenyl-4-carboxylic acid |
CAS: |
1260811-82-2 |
Synonyms: |
4'-Cyano-3'-fluorobiphenyl-4-carboxylic acid; 4-(4-cyano-3-fluorophenyl)benzoic acid; 4/'-Cyano-3/'-fluorobiphenyl-4-carboxylic acid; 4'-Cyano-3'-fluoro-[1,1'-biphenyl]-4-carboxylic acid; 4'-Cyano-3'-fluorobiphenyl-4-carboxylicacid |
IUPAC Name: | 4-(4-cyano-3-fluorophenyl)benzoic acid |
Description: | 4'-Cyano-3'-fluorobiphenyl-4-carboxylic acid |
Molecular Weight: | 241.22 |
Molecular Formula: | C14H8FNO2 |
Canonical SMILES: | C1=CC(=CC=C1C2=CC(=C(C=C2)C#N)F)C(=O)O |
InChI: | InChI=1S/C14H8FNO2/c15-13-7-11(5-6-12(13)8-16)9-1-3-10(4-2-9)14(17)18/h1-7H,(H,17,18) |
InChI Key: | SVQNQAOEJZCAKW-UHFFFAOYSA-N |
Complexity: | 354 |
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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