| CAS Number | 560085-36-1 |
| Catalog Number | AG00DF4U(AGN-PC-0NHZ14) |
| Chemical Name | 2,2-Dimethyl-2'-fluoropropiophenone |
| IUPAC Name | 1-(2-fluorophenyl)-2,2-dimethylpropan-1-one |
| InChI | InChI=1S/C11H13FO/c1-11(2,3)10(13)8-6-4-5-7-9(8)12/h4-7H,1-3H3 |
| InChI Key | WTHXRLYZNUADFV-UHFFFAOYSA-N |
| MDL Number | MFCD03841189 |
| Molecular Formula | C11H13FO |
| Molecular Weight | 180.2187 |
| SMILES | CC(C)(C)C(C1=CC=CC=C1F)=O |
| Synonyms | 2,2-DIMETHYL-2'-FLUOROPROPIOPHENONE,
560085-36-1,
1-(2-fluorophenyl)-2,2-dimethylpropan-1-one,
1-Propanone, 1-(2-fluorophenyl)-2,2-dimethyl-,
SCHEMBL855691,
CTK1F5521,
DTXSID10478872,
ZINC2514245,
5642AE,
MFCD03841189,
AKOS011792312,
MCULE-8635231570,
NE20336,
2'-Fluoro-alpha,alpha-dimethylpropiophenone,
Z1318357727,
C11H13FO,
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| Complexity | 193 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 180.095g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 180.222g/mol |
| Monoisotopic Mass | 180.095g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number