| CAS Number | 112484-85-2 |
| Catalog Number | AG008T0J(AGN-PC-0P3ITR) |
| Chemical Name | 4-BROMOTOLUENE-2,3,5,6-D4 |
| IUPAC Name | 1-bromo-2,3,5,6-tetradeuterio-4-methylbenzene |
| InChI | InChI=1S/C7H7Br/c1-6-2-4-7(8)5-3-6/h2-5H,1H3/i2D,3D,4D,5D |
| InChI Key | ZBTMRBYMKUEVEU-QFFDRWTDSA-N |
| MDL Number | MFCD06658616 |
| Molecular Formula | C7H3BrD4 |
| Molecular Weight | 175.0591 |
| SMILES | [2H]c1c([2H])c(Br)c([2H])c([2H])c1C |
| Synonyms | 4-BROMOTOLUENE-2,3,5,6-D4,
112484-85-2,
SCHEMBL7940057,
AKOS015943676,
CS-C-00199,
1-Bromo-2,3,5,6-tetradeuterio-4-methylbenzene,
|
| Complexity | 62.8 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 173.998g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 0 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 4 |
| Molecular Weight | 175.061g/mol |
| Monoisotopic Mass | 173.998g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 0A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number