| CAS Number | 29548-91-2 |
| Catalog Number | AG00CF8H(AGN-PC-0NFZ8S) |
| Chemical Name | 2-Propanone, 1,1-difluoro-1-phenyl- |
| IUPAC Name | 1,1-difluoro-1-phenylpropan-2-one |
| InChI | InChI=1S/C9H8F2O/c1-7(12)9(10,11)8-5-3-2-4-6-8/h2-6H,1H3 |
| InChI Key | RUSAERAHUFWKED-UHFFFAOYSA-N |
| MDL Number | MFCD18815911 |
| Molecular Formula | C9H8F2O |
| Molecular Weight | 170.1560 |
| SMILES | CC(C(F)(F)C1=CC=CC=C1)=O |
| Synonyms | 29548-91-2,
1,1-difluoro-1-phenylpropan-2-one,
1,1-difluoro-1-phenyl-propan-2-one,
1,1-Difluoro-1-phenyl-2-propanone,
2-Propanone, 1,1-difluoro-1-phenyl-,
SCHEMBL11205832,
CTK8I0632,
MFCD18815911,
ZINC38251241,
2-Propanone, 1,1-difluoro-1-phenyl-,
CID11105787,
|
| Complexity | 171 |
| 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 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number