| CAS Number | 1160573-71-6 |
| Catalog Number | AG01F565(AGN-PC-0WNMM2) |
| Chemical Name | 5-Bromo-2-iodo-3-nitrotoluene |
| IUPAC Name | 5-bromo-2-iodo-1-methyl-3-nitrobenzene |
| InChI | InChI=1S/C7H5BrINO2/c1-4-2-5(8)3-6(7(4)9)10(11)12/h2-3H,1H3 |
| InChI Key | PZGNEGICJCQNAW-UHFFFAOYSA-N |
| MDL Number | MFCD11846030 |
| Molecular Formula | C7H5BrINO2 |
| Molecular Weight | 341.9286 |
| SMILES | BrC=1C=C(C(=C(C)C1)I)[N+](=O)[O-] |
| Synonyms | 5-Bromo-2-iodo-3-nitrotoluene,
1160573-71-6,
5-bromo-2-iodo-1-methyl-3-nitro-benzene,
5-bromo-2-iodo-1-methyl-3-nitrobenzene,
SCHEMBL18299606,
ZINC36532875,
AS-47456,
|
| Complexity | 185 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 340.85484g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 341.93g/mol |
| Monoisotopic Mass | 340.85484g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 45.8Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number