| CAS Number | 1417510-96-3 |
| Catalog Number | AG01DYQK |
| Chemical Name | 1-(2-DIFLUOROMETHYL-PHENYL)-ETHANONE |
| IUPAC Name | 1-[2-(difluoromethyl)phenyl]ethanone |
| InChI | InChI=1S/C9H8F2O/c1-6(12)7-4-2-3-5-8(7)9(10)11/h2-5,9H,1H3 |
| InChI Key | INIFPGCZERKNSV-UHFFFAOYSA-N |
| MDL Number | MFCD22685892 |
| Molecular Formula | C9H8F2O |
| Molecular Weight | 170.1560 |
| SMILES | CC(C1=CC=CC=C1C(F)F)=O |
| Synonyms | 1-(2-(Difluoromethyl)phenyl)ethanone,
1417510-96-3,
2'-(Difluoromethyl)acetophenone,
SCHEMBL14523913,
ZINC95631346,
AKOS023600978,
FCH2307881,
PC53177,
AX8270617,
1-(2-DIFLUOROMETHYL-PHENYL)-ETHANONE,
|
| Complexity | 168 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 170.054g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 170.159g/mol |
| Monoisotopic Mass | 170.054g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
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Certificate of Analysis
Lot Number