| CAS Number | 1000573-87-4 |
| Catalog Number | AG0000R7(AGN-PC-0WCYEN) |
| Chemical Name | Benzene, 5-bromo-1-chloro-2-iodo-3-methyl- |
| IUPAC Name | 5-bromo-1-chloro-2-iodo-3-methylbenzene |
| InChI | InChI=1S/C7H5BrClI/c1-4-2-5(8)3-6(9)7(4)10/h2-3H,1H3 |
| InChI Key | NUXOMLHLSLRWMX-UHFFFAOYSA-N |
| MDL Number | MFCD09878185 |
| Molecular Formula | C7H5BrClI |
| Molecular Weight | 331.3761 |
| SMILES | C1(C)=CC(Br)=CC(Cl)=C1I |
| Synonyms | 5-Bromo-3-chloro-2-iodotoluene,
1000573-87-4,
5-bromo-1-chloro-2-iodo-3-methylbenzene,
DTXSID10661545,
MFCD09878185,
ZINC63339652,
AKOS027257549,
FCH1394699,
AX8277814,
Y3493,
Benzene, 5-bromo-1-chloro-2-iodo-3-methyl-,
Q-7421,
C7H5BrClI,
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| Complexity | 120 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 329.831g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 0 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 331.375g/mol |
| Monoisotopic Mass | 329.831g/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
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Certificate of Analysis
Lot Number