| CAS Number | 289039-23-2 |
| Catalog Number | AG00C15Z(AGN-PC-044XIW) |
| Chemical Name | 2-Bromo-4-ethyl-1-iodobenzene |
| IUPAC Name | 2-bromo-4-ethyl-1-iodobenzene |
| InChI | InChI=1S/C8H8BrI/c1-2-6-3-4-8(10)7(9)5-6/h3-5H,2H2,1H3 |
| InChI Key | FYIQMFSUWSUHJQ-UHFFFAOYSA-N |
| MDL Number | MFCD00672955 |
| Molecular Formula | C8H8BrI |
| Molecular Weight | 310.9576 |
| SMILES | IC1=CC=C(CC)C=C1Br |
| Synonyms | 2-BROMO-4-ETHYL-1-IODOBENZENE,
3-Bromo-4-iodoethylbenzene,
289039-23-2,
SCHEMBL12693766,
CTK6D1145,
ZINC2567831,
AKOS028114484,
AS03255,
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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 | 4.1 |
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Certificate of Analysis
Lot Number