| CAS Number | 1351479-07-6 |
| Catalog Number | AG009K0I |
| Chemical Name | 1-(4-Bromo-2-methylphenyl)-2,2,2-trifluoroethanone |
| IUPAC Name | 1-(4-bromo-2-methylphenyl)-2,2,2-trifluoroethanone |
| InChI | InChI=1S/C9H6BrF3O/c1-5-4-6(10)2-3-7(5)8(14)9(11,12)13/h2-4H,1H3 |
| InChI Key | DANIINALEOHAHB-UHFFFAOYSA-N |
| MDL Number | MFCD11847415 |
| Molecular Formula | C9H6BrF3O |
| Molecular Weight | 267.0425 |
| SMILES | CC1=C(C(C(F)(F)F)=O)C=CC(Br)=C1 |
| Synonyms | 1-(4-BROMO-2-METHYLPHENYL)-2,2,2-TRIFLUOROETHANONE,
1351479-07-6,
1-(4-bromo-2-methylphenyl)-2,2,2-trifluoroethan-1-one,
1-(4-Bromo-2-methyl-phenyl)-2,2,2-trifluoro-ethanone,
SCHEMBL16099798,
DANIINALEOHAHB-UHFFFAOYSA-N,
9460AH,
ZINC82169941,
NE63903,
SC-31881,
BB 0257758,
FT-0701840,
C9H6BrF3O,
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| Complexity | 227 |
| 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 | 1 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number