| CAS Number | 1132701-00-8 |
| Catalog Number | AG00HCOO(AGN-PC-0WR0OG) |
| Chemical Name | 1-[3-Bromo-5-(trifluoromethyl)phenyl]-2,2,2-trifluoroethanone |
| IUPAC Name | 1-[3-bromo-5-(trifluoromethyl)phenyl]-2,2,2-trifluoroethanone |
| InChI | InChI=1S/C9H3BrF6O/c10-6-2-4(7(17)9(14,15)16)1-5(3-6)8(11,12)13/h1-3H |
| InChI Key | QRJHPNQWXZHJLT-UHFFFAOYSA-N |
| MDL Number | MFCD23098942 |
| Molecular Formula | C9H3BrF6O |
| Molecular Weight | 321.0139 |
| SMILES | BrC=1C=C(C=C(C1)C(F)(F)F)C(C(F)(F)F)=O |
| Synonyms | 3'-Bromo-2,2,2-trifluoro-5'-(trifluoromethyl)acetophenone,
1132701-00-8,
1-[3-bromo-5-(trifluoromethyl)phenyl]-2,2,2-trifluoro-ethanone,
3'-Bromo-2,2,2-trifluoro-5'-(trifluoromethyl)acetophenone 95%,
SCHEMBL979130,
QRJHPNQWXZHJLT-UHFFFAOYSA-N,
1-[3-Bromo-5-(trifluoromethyl)phenyl]-2,2,2-trifluoroethanone,
ZX-AP003203,
MFCD23098942,
ZINC100487981,
PC49322,
PS-11111,
|
| Complexity | 297 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 319.927g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 321.016g/mol |
| Monoisotopic Mass | 319.927g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number