| CAS Number | 1185314-82-2 |
| Catalog Number | AG01C99T |
| Chemical Name | 5-(Methyl-d3)-2-fluorobromobenzene |
| IUPAC Name | 2-bromo-1-fluoro-4-(trideuteriomethyl)benzene |
| InChI | InChI=1S/C7H6BrF/c1-5-2-3-7(9)6(8)4-5/h2-4H,1H3/i1D3 |
| InChI Key | QLRKALMVPCQTMU-FIBGUPNXSA-N |
| MDL Number | MFCD12760293 |
| Molecular Formula | C7H3BrD3F |
| Molecular Weight | 192.0434 |
| SMILES | [2H]C(C1=CC(Br)=C(F)C=C1)([2H])[2H] |
| Synonyms | 5-(Methyl-d3)-2-fluorobromobenzene,
AKOS015943580,
2-bromo-1-fluoro-4-(methyl-D3)benzene,
1185314-82-2,
|
| Complexity | 94.9 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 190.983g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 3 |
| Molecular Weight | 192.046g/mol |
| Monoisotopic Mass | 190.983g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 0A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number