| CAS Number | 647831-24-1 |
| Catalog Number | AG01FSBY(AGN-PC-0JDHXX) |
| Chemical Name | 2-Heptanone, 7-bromo-1,1,1-trifluoro- |
| IUPAC Name | 7-bromo-1,1,1-trifluoroheptan-2-one |
| InChI | InChI=1S/C7H10BrF3O/c8-5-3-1-2-4-6(12)7(9,10)11/h1-5H2 |
| InChI Key | MAIKVCCDZVUYAQ-UHFFFAOYSA-N |
| MDL Number | MFCD31694667 |
| Molecular Formula | C7H10BrF3O |
| Molecular Weight | 247.0529 |
| SMILES | BrCCCCCC(=O)C(F)(F)F |
| Synonyms | 647831-24-1,
7-BROMO-1,1,1-TRIFLUOROHEPTAN-2-ONE,
SCHEMBL19307255,
CTK2A3467,
DTXSID60801439,
2-Heptanone, 7-bromo-1,1,1-trifluoro-,
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| Complexity | 144 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 245.98671g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 247.05g/mol |
| Monoisotopic Mass | 245.98671g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 17.1Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number