| CAS Number | 122243-36-1 |
| Catalog Number | AG00HGOR |
| Chemical Name | 3'-Bromo-4'-methoxy-2,2,2-trifluoroacetophenone |
| IUPAC Name | 1-(3-bromo-4-methoxyphenyl)-2,2,2-trifluoroethanone |
| InChI | InChI=1S/C9H6BrF3O2/c1-15-7-3-2-5(4-6(7)10)8(14)9(11,12)13/h2-4H,1H3 |
| InChI Key | CDYMXKVJKUEJII-UHFFFAOYSA-N |
| MDL Number | MFCD07380848 |
| Molecular Formula | C9H6BrF3O2 |
| Molecular Weight | 283.0419 |
| SMILES | COC1=C(C=C(C=C1)C(=O)C(F)(F)F)Br |
| Synonyms | 122243-36-1,
1-(3-BROMO-4-METHOXYPHENYL)-2,2,2-TRIFLUOROETHANONE,
3'-Bromo-4'-methoxy-2,2,2-trifluoroacetophenone,
MFCD07380848,
ZINC15444662,
AKOS017560520,
AS-42716,
alpha,alpha,alpha-Trifluoro-3'-bromo-4'-methoxyacetophenone,
|
| Complexity | 242 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 281.95g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 283.044g/mol |
| Monoisotopic Mass | 281.95g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
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Certificate of Analysis
Lot Number