| CAS Number | 1232407-41-8 |
| Catalog Number | AG01DI9F(AGN-PC-0WCWU2) |
| Chemical Name | 1-(2-bromo-5-(trifluoromethyl)phenyl)ethanone |
| IUPAC Name | 1-[2-bromo-5-(trifluoromethyl)phenyl]ethanone |
| InChI | InChI=1S/C9H6BrF3O/c1-5(14)7-4-6(9(11,12)13)2-3-8(7)10/h2-4H,1H3 |
| InChI Key | GBKOKZGIXQZTPC-UHFFFAOYSA-N |
| MDL Number | MFCD22493258 |
| Molecular Formula | C9H6BrF3O |
| Molecular Weight | 267.0425 |
| SMILES | CC(C1=CC(C(F)(F)F)=CC=C1Br)=O |
| Synonyms | 1-(2-bromo-5-(trifluoromethyl)phenyl)ethanone,
1232407-41-8,
1-(2-Bromo-5-trifluoromethylphenyl)-ethanone,
1-(2-Bromo-5-trifluoromethyl-phenyl)-ethanone,
Ethanone, 1-[2-bromo-5-(trifluoromethyl)phenyl]-,
SCHEMBL151287,
GBKOKZGIXQZTPC-UHFFFAOYSA-N,
MFCD22493258,
ZINC96373468,
AKOS020197454,
1-[2-bromo-5-(trifluoromethyl)phenyl]ethan-1-one,
A1-03888,
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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 | 3.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number