| CAS Number | 107164-93-2 |
| Catalog Number | AG01BTL3(AGN-PC-0NWKAM) |
| Chemical Name | 1,3-Bis(bromomethyl)-5-iodobenzene |
| IUPAC Name | 1,3-bis(bromomethyl)-5-iodobenzene |
| InChI | InChI=1S/C8H7Br2I/c9-4-6-1-7(5-10)3-8(11)2-6/h1-3H,4-5H2 |
| InChI Key | GMAQAYJAXIDDAH-UHFFFAOYSA-N |
| MDL Number | MFCD22492791 |
| Molecular Formula | C8H7Br2I |
| Molecular Weight | 389.8536 |
| SMILES | BrCC1=CC(=CC(=C1)I)CBr |
| Synonyms | 1,3-bis(bromomethyl)-5-iodobenzene,
107164-93-2,
SCHEMBL15574021,
3,5-bis(bromo-methyl)iodobenzene,
ZINC146004389,
|
| Complexity | 107 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 389.794g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 0 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 389.856g/mol |
| Monoisotopic Mass | 387.796g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 0A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
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