| CAS Number | 1261991-51-8 |
| Catalog Number | AG000SBO(AGN-PC-09O06Q) |
| Chemical Name | 3-(3-Acetylphenyl)-4-fluorobenzoic acid |
| IUPAC Name | 3-(3-acetylphenyl)-4-fluorobenzoic acid |
| InChI | InChI=1S/C15H11FO3/c1-9(17)10-3-2-4-11(7-10)13-8-12(15(18)19)5-6-14(13)16/h2-8H,1H3,(H,18,19) |
| InChI Key | PTEJUUKQAVSEOM-UHFFFAOYSA-N |
| MDL Number | MFCD18320097 |
| Molecular Formula | C15H11FO3 |
| Molecular Weight | 258.2444 |
| SMILES | CC(=O)c1cccc(c1)c1cc(ccc1F)C(=O)O |
| Synonyms | 3-(3-ACETYLPHENYL)-4-FLUOROBENZOIC ACID,
1261991-51-8,
3'-Acetyl-6-fluoro-[1,1'-biphenyl]-3-carboxylic acid,
ACMC-209b9w,
SCHEMBL2557497,
CTK8A9885,
DTXSID30689741,
ANW-18882,
MFCD18320097,
ZINC65350492,
AKOS015888583,
AJ-115459,
TC-107627,
B-7021,
I01-11299,
3'-Acetyl-6-fluoro[1,1'-biphenyl]-3-carboxylic acid,
[1,1'-Biphenyl]-3-carboxylic acid, 3'-acetyl-6-fluoro-,
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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