| CAS Number | 1365271-52-8 |
| Catalog Number | AG0011Z5(AGN-PC-0J2C6N) |
| Chemical Name | 4-(2-Acetylphenyl)-2-fluorobenzoic acid |
| IUPAC Name | 4-(2-acetylphenyl)-2-fluorobenzoic acid |
| InChI | InChI=1S/C15H11FO3/c1-9(17)11-4-2-3-5-12(11)10-6-7-13(15(18)19)14(16)8-10/h2-8H,1H3,(H,18,19) |
| InChI Key | XTPPPCROVGUUCV-UHFFFAOYSA-N |
| MDL Number | MFCD21609634 |
| Molecular Formula | C15H11FO3 |
| Molecular Weight | 258.2444 |
| SMILES | OC(=O)c1ccc(cc1F)c1ccccc1C(=O)C |
| Synonyms | 4-(2-Acetylphenyl)-2-fluorobenzoic acid,
1365271-52-8,
ACMC-209c6g,
CTK8B0487,
DTXSID50742842,
ANW-20054,
MFCD21609634,
ZINC85476998,
AKOS026672921,
TC-108799,
V2553,
2'-Acetyl-3-fluoro[1,1'-biphenyl]-4-carboxylic acid,
[1,1'-Biphenyl]-4-carboxylic acid, 2'-acetyl-3-fluoro-,
C15H11FO3,
K-4365,
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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