| CAS Number | 1774897-04-9 |
| Catalog Number | AG01FF3B(AGN-PC-3H4A45) |
| Chemical Name | 3-Bromo-5-chloro-4-iodotoluene |
| IUPAC Name | 1-bromo-3-chloro-2-iodo-5-methylbenzene |
| InChI | InChI=1S/C7H5BrClI/c1-4-2-5(8)7(10)6(9)3-4/h2-3H,1H3 |
| InChI Key | SUTHBEPACRMDEH-UHFFFAOYSA-N |
| MDL Number | MFCD26792626 |
| Molecular Formula | C7H5BrClI |
| Molecular Weight | 331.3761 |
| SMILES | Cc1cc(Cl)c(c(c1)Br)I |
| Synonyms | 3-Bromo-5-chloro-4-iodotoluene,
1774897-04-9,
1-Bromo-3-chloro-2-iodo-5-methylbenzene,
ZINC64219790,
|
| 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 |
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Certificate of Analysis
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