| CAS Number | 886762-02-3 |
| Catalog Number | AG00GRXW |
| Chemical Name | 2,3-Difluoro-4-(trifluoromethyl)phenacyl bromide |
| IUPAC Name | 2-bromo-1-[2,3-difluoro-4-(trifluoromethyl)phenyl]ethanone |
| InChI | InChI=1S/C9H4BrF5O/c10-3-6(16)4-1-2-5(9(13,14)15)8(12)7(4)11/h1-2H,3H2 |
| InChI Key | QGWZRHNUOZSQOK-UHFFFAOYSA-N |
| MDL Number | MFCD09259004 |
| Molecular Formula | C9H4BrF5O |
| Molecular Weight | 303.0235 |
| SMILES | FC1=C(C=CC(=C1F)C(F)(F)F)C(=O)CBr |
| Synonyms | 2,3-Difluoro-4-(trifluoromethyl)phenacyl bromide,
886762-02-3,
2-Bromo-1-(2,3-difluoro-4-(trifluoromethyl)phenyl)ethanone,
SCHEMBL14797106,
CTK5I9266,
ZX-AP002482,
KM2710,
PC3405,
ZINC16158762,
PS-9876,
2-bromo-1-[2,3-difluoro-4-(trifluoromethyl)phenyl]ethan-1-one,
AC1MCSXH,
CID2778277,
2-bromo-1-[2,3-difluoro-4-(trifluoromethyl)phenyl]ethanone,
2-Bromo-2',3'-difluoro-4'-(trifluoromethyl)acetophenone,
|
| Complexity | 267 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 301.93657g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 303.02g/mol |
| Monoisotopic Mass | 301.93657g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 17.1Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number