| CAS Number | 19164-77-3 |
| Catalog Number | AG002FER(AGN-PC-001Q2R) |
| Chemical Name | Benzene, 1-ethyl-3-iodo- |
| IUPAC Name | 1-ethyl-3-iodobenzene |
| InChI | InChI=1S/C8H9I/c1-2-7-4-3-5-8(9)6-7/h3-6H,2H2,1H3 |
| InChI Key | XSMZGZMBNXKCBW-UHFFFAOYSA-N |
| MDL Number | MFCD11183303 |
| Molecular Formula | C8H9I |
| Molecular Weight | 232.0615 |
| SMILES | C(C)C1=CC(=CC=C1)I |
| Synonyms | 1-ethyl-3-iodobenzene,
19164-77-3,
Benzene, 1-ethyl-3-iodo-,
3-Iodoethylbenzene,
1-Iodo-3-ethylbenzene,
SCHEMBL172930,
CTK0A2137,
DTXSID80561386,
ZINC57375406,
AKOS009319828,
FS-4473,
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| Complexity | 80.6 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 231.975g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 0 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 232.064g/mol |
| Monoisotopic Mass | 231.975g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 0A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
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Certificate of Analysis
Lot Number