5-(4-Carboxy-3-fluorophenyl)-2-cyanophenol - CAS 1261964-35-5
Catalog: |
BB070594 |
Product Name: |
5-(4-Carboxy-3-fluorophenyl)-2-cyanophenol |
CAS: |
1261964-35-5 |
Synonyms: |
4'-Cyano-3-fluoro-3'-hydroxy-[1,1'-biphenyl]-4-carboxylic acid; 5-(4-CARBOXY-3-FLUOROPHENYL)-2-CYANOPHENOL; 4-(4-cyano-3-hydroxyphenyl)-2-fluorobenzoic acid; 4'-Cyano-3-fluoro-3'-hydroxy-[1,1'-biphenyl]-4-carboxylicacid |
IUPAC Name: | 4-(4-cyano-3-hydroxyphenyl)-2-fluorobenzoic acid |
Description: | 5-(4-Carboxy-3-fluorophenyl)-2-cyanophenol |
Molecular Weight: | 257.22 |
Molecular Formula: | C14H8FNO3 |
Canonical SMILES: | C1=CC(=C(C=C1C2=CC(=C(C=C2)C(=O)O)F)O)C#N |
InChI: | InChI=1S/C14H8FNO3/c15-12-5-8(3-4-11(12)14(18)19)9-1-2-10(7-16)13(17)6-9/h1-6,17H,(H,18,19) |
InChI Key: | FUQIYGVUFPSIRX-UHFFFAOYSA-N |
Complexity: | 391 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 257.04882128 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 257.04882128 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 81.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.1 |
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