| CAS Number | 395-15-3 |
| Catalog Number | AG01C3L1(AGN-PC-00065C) |
| Chemical Name | 3-Bromo-1,1,1-trifluoro-3-phenylpropan-2-one |
| IUPAC Name | 3-bromo-1,1,1-trifluoro-3-phenylpropan-2-one |
| InChI | InChI=1S/C9H6BrF3O/c10-7(8(14)9(11,12)13)6-4-2-1-3-5-6/h1-5,7H |
| InChI Key | XWQPKCABAXIHPC-UHFFFAOYSA-N |
| MDL Number | MFCD01934515 |
| Molecular Formula | C9H6BrF3O |
| Molecular Weight | 267.0425 |
| SMILES | FC(C(C(C1=CC=CC=C1)Br)=O)(F)F |
| Synonyms | 3-bromo-1,1,1-trifluoro-3-phenylpropan-2-one,
395-15-3,
SCHEMBL1481215,
XWQPKCABAXIHPC-UHFFFAOYSA-N,
1,1,1-Trifluoro-3-bromo-3-phenyl-2-propanone,
2-Propanone, 3-bromo-1,1,1-trifluoro-3-phenyl-,
|
| Complexity | 209 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 265.955g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 267.045g/mol |
| Monoisotopic Mass | 265.955g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number