| CAS Number | 1369834-22-9 |
| Catalog Number | AG01C921 |
| Chemical Name | 1-ethyl-4-iodo-2-methylbenzene |
| IUPAC Name | 1-ethyl-4-iodo-2-methylbenzene |
| InChI | InChI=1S/C9H11I/c1-3-8-4-5-9(10)6-7(8)2/h4-6H,3H2,1-2H3 |
| InChI Key | FESVPXRZWVZHMB-UHFFFAOYSA-N |
| MDL Number | MFCD22492385 |
| Molecular Formula | C9H11I |
| Molecular Weight | 246.0881 |
| SMILES | CCC1=C(C)C=C(I)C=C1 |
| Synonyms | 1-ethyl-4-iodo-2-methylbenzene,
1369834-22-9,
SCHEMBL13062514,
|
| Complexity | 101 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 245.991g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 0 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 246.091g/mol |
| Monoisotopic Mass | 245.991g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 0A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number