2-(4-Carboxyphenyl)-4-fluorobenzoic acid - CAS 1261931-01-4
Catalog: |
BB070524 |
Product Name: |
2-(4-Carboxyphenyl)-4-fluorobenzoic acid |
CAS: |
1261931-01-4 |
Synonyms: |
2-(4-CARBOXYPHENYL)-4-FLUOROBENZOIC ACID; 2-(4-CARBOXYPHENYL)-4-FLUOROBENZOICACID; 5-Fluoro[1,1'-biphenyl]-2,4'-dicarboxylic acid |
IUPAC Name: | 2-(4-carboxyphenyl)-4-fluorobenzoic acid |
Description: | 2-(4-Carboxyphenyl)-4-fluorobenzoic acid |
Molecular Weight: | 260.22 |
Molecular Formula: | C14H9FO4 |
Canonical SMILES: | C1=CC(=CC=C1C2=C(C=CC(=C2)F)C(=O)O)C(=O)O |
InChI: | InChI=1S/C14H9FO4/c15-10-5-6-11(14(18)19)12(7-10)8-1-3-9(4-2-8)13(16)17/h1-7H,(H,16,17)(H,18,19) |
InChI Key: | WYOMDALQCHUWGY-UHFFFAOYSA-N |
Complexity: | 349 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 260.04848693 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 260.04848693 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 74.6Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.7 |
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