| CAS Number | 1345471-80-8 |
| Catalog Number | AG0070DD(AGN-PC-0BGIB0) |
| Chemical Name | 5-(2-Acetylphenyl)-2-fluorobenzoic acid |
| IUPAC Name | 5-(2-acetylphenyl)-2-fluorobenzoic acid |
| 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 |
| MDL Number | MFCD20441869 |
| Molecular Formula | C15H11FO3 |
| Molecular Weight | 258.2444 |
| SMILES | CC(=O)c1ccccc1c1ccc(c(c1)C(=O)O)F |
| Synonyms | 5-(2-Acetylphenyl)-2-fluorobenzoic acid,
1345471-80-8,
ACMC-209bvm,
CTK8B0245,
DTXSID50718365,
ANW-19664,
MFCD20441869,
ZINC74937791,
AKOS025294341,
TC-108409,
Z9790,
K-4251,
2'-Acetyl-4-fluoro[1,1'-biphenyl]-3-carboxylic acid,
C15H11FO3,
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| Complexity | 355 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 258.069g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 258.248g/mol |
| Monoisotopic Mass | 258.069g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 54.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number