4-Fluoro-2-(4-formylphenyl)benzoic Acid - CAS 1261921-54-3
Catalog: |
BB065294 |
Product Name: |
4-Fluoro-2-(4-formylphenyl)benzoic Acid |
CAS: |
1261921-54-3 |
Synonyms: |
5-Fluoro-4'-formyl-[1,1'-biphenyl]-2-carboxylic Acid |
IUPAC Name: | 4-fluoro-2-(4-formylphenyl)benzoic acid |
Description: | 4-Fluoro-2-(4-formylphenyl)benzoic Acid |
Molecular Weight: | 244.22 |
Molecular Formula: | C14H9FO3 |
Canonical SMILES: | C1=CC(=CC=C1C=O)C2=C(C=CC(=C2)F)C(=O)O |
InChI: | InChI=1S/C14H9FO3/c15-11-5-6-12(14(17)18)13(7-11)10-3-1-9(8-16)2-4-10/h1-8H,(H,17,18) |
InChI Key: | LRJCCNAFOLTMCZ-UHFFFAOYSA-N |
Complexity: | 310 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 244.05357231 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 244.05357231 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 54.4Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.6 |
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