| CAS Number | 20651-68-7 |
| Catalog Number | AG01FFKS(AGN-PC-01VQWL) |
| Chemical Name | 3-Iodo-n-butylbenzene |
| IUPAC Name | 1-butyl-3-iodobenzene |
| InChI | InChI=1S/C10H13I/c1-2-3-5-9-6-4-7-10(11)8-9/h4,6-8H,2-3,5H2,1H3 |
| InChI Key | OEZDHAXOVPQBTO-UHFFFAOYSA-N |
| MDL Number | MFCD11845946 |
| Molecular Formula | C10H13I |
| Molecular Weight | 260.1147 |
| SMILES | CCCCc1cccc(c1)I |
| Synonyms | 3-Iodo-n-butylbenzene,
20651-68-7,
1-Butyl-3-iodobenzene,
SCHEMBL4194332,
ZINC65356428,
|
| Complexity | 101 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 260.006g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 0 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 260.118g/mol |
| Monoisotopic Mass | 260.006g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 0A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.5 |
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Certificate of Analysis
Lot Number