| CAS Number | 1365271-37-9 |
| Catalog Number | AG0011XY(AGN-PC-0WP1QX) |
| Chemical Name | 3'-Acetyl-3-fluoro-4-methylbiphenyl |
| IUPAC Name | 1-[3-(3-fluoro-4-methylphenyl)phenyl]ethanone |
| InChI | InChI=1S/C15H13FO/c1-10-6-7-14(9-15(10)16)13-5-3-4-12(8-13)11(2)17/h3-9H,1-2H3 |
| InChI Key | RIKFHGKTPXMYGD-UHFFFAOYSA-N |
| MDL Number | MFCD21609604 |
| Molecular Formula | C15H13FO |
| Molecular Weight | 228.2615 |
| SMILES | CC(=O)c1cccc(c1)c1ccc(c(c1)F)C |
| Synonyms | 3'-Acetyl-3-fluoro-4-methylbiphenyl,
1365271-37-9,
ACMC-209c69,
CTK8B0480,
DTXSID00742837,
ANW-20047,
MFCD21609604,
ZINC85476988,
AKOS019066629,
TC-108792,
V2545,
1-(3'-Fluoro-4'-methyl[1,1'-biphenyl]-3-yl)ethan-1-one,
Ethanone, 1-(3'-fluoro-4'-methyl[1,1'-biphenyl]-3-yl)-,
C15H13FO,
3/'-Acetyl-3-fluoro-4-methylbiphenyl,
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| Complexity | 276 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 228.095g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 228.266g/mol |
| Monoisotopic Mass | 228.095g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number