3-Fluoro-4-(4-formylphenyl)benzoic acid - CAS 1261969-57-6
Catalog: |
BB065200 |
Product Name: |
3-Fluoro-4-(4-formylphenyl)benzoic acid |
CAS: |
1261969-57-6 |
Synonyms: |
3-FLUORO-4-(4-FORMYLPHENYL)BENZOIC ACID; 2-Fluoro-4'-formyl-[1,1'-biphenyl]-4-carboxylic acid; 2-Fluoro-4'-formyl-[1,1'-biphenyl]-4-carboxylicacid |
IUPAC Name: | 3-fluoro-4-(4-formylphenyl)benzoic acid |
Description: | 3-Fluoro-4-(4-formylphenyl)benzoic acid |
Molecular Weight: | 244.22 |
Molecular Formula: | C14H9FO3 |
Canonical SMILES: | C1=CC(=CC=C1C=O)C2=C(C=C(C=C2)C(=O)O)F |
InChI: | InChI=1S/C14H9FO3/c15-13-7-11(14(17)18)5-6-12(13)10-3-1-9(8-16)2-4-10/h1-8H,(H,17,18) |
InChI Key: | SGWIJMSLNUZJOB-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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