| CAS Number | 1261906-36-8 |
| Catalog Number | AG000S5E(AGN-PC-09O06S) |
| Chemical Name | 4-(3-Acetylphenyl)-2-fluorobenzoic acid |
| IUPAC Name | 4-(3-acetylphenyl)-2-fluorobenzoic acid |
| InChI | InChI=1S/C15H11FO3/c1-9(17)10-3-2-4-11(7-10)12-5-6-13(15(18)19)14(16)8-12/h2-8H,1H3,(H,18,19) |
| InChI Key | JDBDGEURLSWFJB-UHFFFAOYSA-N |
| MDL Number | MFCD18320099 |
| Molecular Formula | C15H11FO3 |
| Molecular Weight | 258.2444 |
| SMILES | CC(=O)c1cccc(c1)c1ccc(c(c1)F)C(=O)O |
| Synonyms | 4-(3-ACETYLPHENYL)-2-FLUOROBENZOIC ACID,
1261906-36-8,
ACMC-209b48,
SCHEMBL2556397,
CTK8A9701,
DTXSID50689743,
ANW-18678,
MFCD18320099,
ZINC65350494,
AKOS025294235,
TC-107423,
Z9126,
3'-Acetyl-3-fluoro[1,1'-biphenyl]-4-carboxylic acid,
[1,1'-Biphenyl]-4-carboxylic acid, 3'-acetyl-3-fluoro-,
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