| CAS Number | 1345471-99-9 |
| Catalog Number | AG009WKQ |
| Chemical Name | 3-(2-Acetylphenyl)-5-fluorobenzoic acid |
| IUPAC Name | 3-(2-acetylphenyl)-5-fluorobenzoic acid |
| InChI | InChI=1S/C15H11FO3/c1-9(17)13-4-2-3-5-14(13)10-6-11(15(18)19)8-12(16)7-10/h2-8H,1H3,(H,18,19) |
| InChI Key | WSJLXSBWMSEADL-UHFFFAOYSA-N |
| MDL Number | MFCD20441868 |
| Molecular Formula | C15H11FO3 |
| Molecular Weight | 258.2444 |
| SMILES | Fc1cc(cc(c1)c1ccccc1C(=O)C)C(=O)O |
| Synonyms | 3-(2-Acetylphenyl)-5-fluorobenzoic acid,
1345471-99-9,
ACMC-209bvu,
CTK8B0253,
DTXSID90718364,
ANW-19672,
MFCD20441868,
ZINC74937790,
AKOS026672752,
TC-108417,
Z9798,
2'-Acetyl-5-fluoro[1,1'-biphenyl]-3-carboxylic acid,
C15H11FO3,
|
| 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
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number