| CAS Number | 1000571-43-6 |
| Catalog Number | AG01FFHG(AGN-PC-0WAIZ0) |
| Chemical Name | 3,5-Dibromo-2-iodotoluene |
| IUPAC Name | 1,5-dibromo-2-iodo-3-methylbenzene |
| InChI | InChI=1S/C7H5Br2I/c1-4-2-5(8)3-6(9)7(4)10/h2-3H,1H3 |
| InChI Key | NQCYUNDYUJNSAX-UHFFFAOYSA-N |
| MDL Number | MFCD09800828 |
| Molecular Formula | C7H5Br2I |
| Molecular Weight | 375.8271 |
| SMILES | c1c(cc(c(c1Br)I)C)Br |
| Synonyms | 3,5-Dibromo-2-iodotoluene,
1000571-43-6,
1,5-dibromo-2-iodo-3-methylbenzene,
SCHEMBL12699692,
MFCD09800828,
ZINC63339601,
AKOS025287376,
FCH1393449,
FS-5480,
OR52175,
Y3490,
Q-7463,
A1-07412,
C7H5Br2I,
|
| Complexity | 118 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 375.778g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 0 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 375.829g/mol |
| Monoisotopic Mass | 373.78g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 0A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number