| CAS Number | 918540-55-3 |
| Catalog Number | AG01BGGJ(AGN-PC-0GELRH) |
| Chemical Name | 4-(4-Iodophenyl)butan-2-one |
| IUPAC Name | 4-(4-iodophenyl)butan-2-one |
| InChI | InChI=1S/C10H11IO/c1-8(12)2-3-9-4-6-10(11)7-5-9/h4-7H,2-3H2,1H3 |
| InChI Key | KRODAABNJFTHLD-UHFFFAOYSA-N |
| MDL Number | MFCD21243165 |
| Molecular Formula | C10H11IO |
| Molecular Weight | 274.0982 |
| SMILES | CC(=O)CCc1ccc(cc1)I |
| Synonyms | 4-(4-Iodophenyl)butan-2-one,
918540-55-3,
4-(4-iodophenyl)-2-butanone,
SCHEMBL412020,
CTK3H6688,
DTXSID60734894,
2-Butanone, 4-(4-iodophenyl)-,
ZINC83849826,
AKOS014814487,
Z1946684541,
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| Complexity | 148 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 273.985g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 274.101g/mol |
| Monoisotopic Mass | 273.985g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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