| CAS Number | 918540-56-4 |
| Catalog Number | AG01B8VW(AGN-PC-0FUTA6) |
| Chemical Name | 4-(2,6-Difluorophenyl)butan-2-one |
| IUPAC Name | 4-(2,6-difluorophenyl)butan-2-one |
| InChI | InChI=1S/C10H10F2O/c1-7(13)5-6-8-9(11)3-2-4-10(8)12/h2-4H,5-6H2,1H3 |
| InChI Key | GQEWEDZEQVAIPG-UHFFFAOYSA-N |
| MDL Number | MFCD20336731 |
| Molecular Formula | C10H10F2O |
| Molecular Weight | 184.1826 |
| SMILES | CC(CCC1=C(F)C=CC=C1F)=O |
| Synonyms | 4-(2,6-Difluorophenyl)butan-2-one,
918540-56-4,
SCHEMBL6158818,
CTK3H6687,
DTXSID00734777,
ZINC70738684,
4-(2,6-Difluorophenyl)-2-butanone,
AKOS013846821,
2-Butanone, 4-(2,6-difluorophenyl)-,
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| Complexity | 172 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 184.07g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 184.186g/mol |
| Monoisotopic Mass | 184.07g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number