| CAS Number | 1369835-61-9 |
| Catalog Number | AG01BC71 |
| Chemical Name | 1-Bromo-3-iodo-2-(trifluoromethyl)benzene |
| IUPAC Name | 1-bromo-3-iodo-2-(trifluoromethyl)benzene |
| InChI | InChI=1S/C7H3BrF3I/c8-4-2-1-3-5(12)6(4)7(9,10)11/h1-3H |
| InChI Key | GGXCMPQZTZAMNT-UHFFFAOYSA-N |
| MDL Number | MFCD22490783 |
| Molecular Formula | C7H3BrF3I |
| Molecular Weight | 350.9024 |
| SMILES | BrC1=C(C(=CC=C1)I)C(F)(F)F |
| Synonyms | 1-bromo-3-iodo-2-(trifluoromethyl)benzene,
1369835-61-9,
ZINC97436576,
AKOS027377924,
|
| Complexity | 159 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 349.841g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 350.905g/mol |
| Monoisotopic Mass | 349.841g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 0A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number