| CAS Number | 1261938-14-0 |
| Catalog Number | AG000S7E(AGN-PC-09O07L) |
| Chemical Name | 3-(4-Acetylphenyl)-4-fluorobenzoic acid |
| IUPAC Name | 3-(4-acetylphenyl)-4-fluorobenzoic acid |
| InChI | InChI=1S/C15H11FO3/c1-9(17)10-2-4-11(5-3-10)13-8-12(15(18)19)6-7-14(13)16/h2-8H,1H3,(H,18,19) |
| InChI Key | IOMIPPNMXIXHKC-UHFFFAOYSA-N |
| MDL Number | MFCD18320128 |
| Molecular Formula | C15H11FO3 |
| Molecular Weight | 258.2444 |
| SMILES | CC(=O)c1ccc(cc1)c1cc(ccc1F)C(=O)O |
| Synonyms | 3-(4-ACETYLPHENYL)-4-FLUOROBENZOIC ACID,
1261938-14-0,
4'-Acetyl-6-fluoro-[1,1'-biphenyl]-3-carboxylic acid,
ACMC-209b62,
SCHEMBL2555397,
CTK8A9764,
DTXSID40689772,
ANW-18744,
MFCD18320128,
ZINC65350520,
AKOS015888580,
AJ-115463,
TC-107489,
B-6914,
I01-11293,
4'-Acetyl-6-fluoro[1,1'-biphenyl]-3-carboxylic acid,
[1,1'-Biphenyl]-3-carboxylic acid, 4'-acetyl-6-fluoro-,
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| Complexity | 347 |
| 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