| CAS Number | 945907-32-4 |
| Catalog Number | AG00IID6(AGN-PC-0WNGL8) |
| Chemical Name | 1-(3-Bromo-4-Iodophenyl)Ethanone |
| IUPAC Name | 1-(3-bromo-4-iodophenyl)ethanone |
| InChI | InChI=1S/C8H6BrIO/c1-5(11)6-2-3-8(10)7(9)4-6/h2-4H,1H3 |
| InChI Key | WAQKCNIGTUIVRZ-UHFFFAOYSA-N |
| MDL Number | MFCD18391610 |
| Molecular Formula | C8H6BrIO |
| Molecular Weight | 324.9411 |
| SMILES | BrC=1C=C(C=CC1I)C(C)=O |
| Synonyms | 1-(3-Bromo-4-iodophenyl)ethanone,
945907-32-4,
1-(3-Bromo-4-iodo-phenyl)-ethanone,
1-(3-bromo-4-iodophenyl)ethan-1-one,
3'-Bromo-4'-iodoacetophenone,
p-Jod-m-bromacetophenon,
SCHEMBL19351512,
MFCD18391610,
ZINC169795973,
KS-00000M58,
AK482929,
DS-18931,
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| Complexity | 160 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 323.865g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 324.943g/mol |
| Monoisotopic Mass | 323.865g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
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Certificate of Analysis
Lot Number