| CAS Number | 82386-91-2 |
| Catalog Number | AG01C5K0(AGN-PC-0MUQYC) |
| Chemical Name | 2-(Bromomethyl)-4-chloro-1-iodobenzene |
| IUPAC Name | 2-(bromomethyl)-4-chloro-1-iodobenzene |
| InChI | InChI=1S/C7H5BrClI/c8-4-5-3-6(9)1-2-7(5)10/h1-3H,4H2 |
| InChI Key | IXJKEQUZQPJVKR-UHFFFAOYSA-N |
| MDL Number | MFCD04108467 |
| Molecular Formula | C7H5BrClI |
| Molecular Weight | 331.3761 |
| SMILES | IC1=CC=C(Cl)C=C1CBr |
| Synonyms | 82386-91-2,
2-(bromomethyl)-4-chloro-1-iodobenzene,
5-chloro-2-iodobenzyl bromide,
SCHEMBL561187,
IXJKEQUZQPJVKR-UHFFFAOYSA-N,
ZINC114091715,
Benzene, 2-(bromomethyl)-4-chloro-1-iodo-,
4-chloro-2-bromomethyl-1-iodo-benzene,
CID9862384,
2-(bromomethyl)-4-chloro-1-iodo-benzene,
|
| Complexity | 110 |
| 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 | 1 |
| Topological Polar Surface Area | 0A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number