5-(2-Acetylphenyl)-2-fluorobenzoic acid - CAS 1345471-80-8
Catalog: |
BB075387 |
Product Name: |
5-(2-Acetylphenyl)-2-fluorobenzoic acid |
CAS: |
1345471-80-8 |
Synonyms: |
5-(2-Acetylphenyl)-2-fluorobenzoic acid; 5-(2-Acetylphenyl)-2-fluorobenzoicacid |
IUPAC Name: | 5-(2-acetylphenyl)-2-fluorobenzoic acid |
Description: | 5-(2-Acetylphenyl)-2-fluorobenzoic acid |
Molecular Weight: | 258.24 |
Molecular Formula: | C15H11FO3 |
Canonical SMILES: | CC(=O)C1=CC=CC=C1C2=CC(=C(C=C2)F)C(=O)O |
InChI: | InChI=1S/C15H11FO3/c1-9(17)11-4-2-3-5-12(11)10-6-7-14(16)13(8-10)15(18)19/h2-8H,1H3,(H,18,19) |
InChI Key: | BQLBPFQXECRIIM-UHFFFAOYSA-N |
Complexity: | 355 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 258.06922237 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 258.06922237 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 54.4Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.9 |
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