| CAS Number | 89642-34-2 |
| Catalog Number | AG01EYSN(AGN-PC-3H48II) |
| Chemical Name | 1,2,5-Tribromo-3-(trifluoromethyl)benzene |
| IUPAC Name | 1,2,5-tribromo-3-(trifluoromethyl)benzene |
| InChI | InChI=1S/C7H2Br3F3/c8-3-1-4(7(11,12)13)6(10)5(9)2-3/h1-2H |
| InChI Key | AJKPMJZDKAYKNK-UHFFFAOYSA-N |
| MDL Number | MFCD09800689 |
| Molecular Formula | C7H2Br3F3 |
| Molecular Weight | 382.7980 |
| SMILES | C1(C(F)(F)F)=CC(=CC(Br)=C1Br)Br |
| Synonyms | 2,3,5-Tribromobenzotrifluoride,
89642-34-2,
1,2,5-tribromo-3-(trifluoromethyl)benzene,
DTXSID00673778,
ZINC63360964,
|
| Complexity | 182 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 381.764g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 382.8g/mol |
| Monoisotopic Mass | 379.766g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 0A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number