| CAS Number | 1261481-48-4 |
| Catalog Number | AG000RT0(AGN-PC-0WCN20) |
| Chemical Name | 2-(Bromomethyl)-1-iodo-3-methylbenzene |
| IUPAC Name | 2-(bromomethyl)-1-iodo-3-methylbenzene |
| InChI | InChI=1S/C8H8BrI/c1-6-3-2-4-8(10)7(6)5-9/h2-4H,5H2,1H3 |
| InChI Key | FFPITQVOPZVACN-UHFFFAOYSA-N |
| MDL Number | MFCD18397826 |
| Molecular Formula | C8H8BrI |
| Molecular Weight | 310.9576 |
| SMILES | CC1=CC=CC(I)=C1CBr |
| Synonyms | 2-Iodo-6-methylbenzyl bromide,
1261481-48-4,
SCHEMBL15351536,
MFCD18397826,
ZINC96032773,
FCH1372201,
OR51857,
PS-10044,
Benzene, 2-(bromomethyl)-1-iodo-3-methyl-,
2-(BROMOMETHYL)-1-IODO-3-METHYLBENZENE,
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| Complexity | 105 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 309.885g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 0 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 310.96g/mol |
| Monoisotopic Mass | 309.885g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 0A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number