| CAS Number | 918422-28-3 |
| Catalog Number | AG00IGWI(AGN-PC-0CXFPL) |
| Chemical Name | 1-(4-Iodophenyl)butan-2-one |
| IUPAC Name | 1-(4-iodophenyl)butan-2-one |
| InChI | InChI=1S/C10H11IO/c1-2-10(12)7-8-3-5-9(11)6-4-8/h3-6H,2,7H2,1H3 |
| InChI Key | CBFRKSKZPSVHPZ-UHFFFAOYSA-N |
| MDL Number | MFCD21243354 |
| Molecular Formula | C10H11IO |
| Molecular Weight | 274.0982 |
| SMILES | CCC(CC1=CC=C(I)C=C1)=O |
| Synonyms | 1-(4-IODOPHENYL)BUTAN-2-ONE,
918422-28-3,
2-Butanone, 1-(4-iodophenyl)-,
SCHEMBL165391,
CTK3H7595,
1-(4-iodophenyl)-butane-2-one,
DTXSID80732135,
CBFRKSKZPSVHPZ-UHFFFAOYSA-N,
MFCD21243354,
ZINC83850505,
AKOS014815788,
AS-42505,
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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 | 2.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number